2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C54H46Cl4N20O4 — CID 158987545

About 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158987545) has the molecular formula C54H46Cl4N20O4 and a molecular weight of 1180.91 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158987545
• Molecular Formula: C54H46Cl4N20O4
• Molecular Weight: 1180.91 g/mol
• Exact Mass: 1178.28
• IUPAC Name: 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CNC(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cc1cc(CNc2nc(Cl)nc3[nH]ccc23)ccn1.Clc1nc(NCc2ccnc3ccccc23)c2cc[nH]c2n1.NC(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
• InChI: InChI=1S/C16H12ClN5.C13H12ClN5O2.C13H12ClN5.C12H10ClN5O2/c17-16-21-14-12(6-8-19-14)15(22-16)20-9-10-5-7-18-13-4-2-1-3-11(10)13;1-15-12(20)9-5-8-10(16-6-7-3-2-4-21-7)18-13(14)19-11(8)17-9;1-8-6-9(2-4-15-8)7-17-12-10-3-5-16-11(10)18-13(14)19-12;13-12-17-10(15-5-6-2-1-3-20-6)7-4-8(9(14)19)16-11(7)18-12/h1-8H,9H2,(H2,19,20,21,22);2-5H,6H2,1H3,(H,15,20)(H2,16,17,18,19);2-6H,7H2,1H3,(H2,16,17,18,19);1-4H,5H2,(H2,14,19)(H2,15,16,17,18)
• InChIKey: JPTGWTBRQAMAFU-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 338.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1180.91
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158987545) is 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CNC(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cc1cc(CNc2nc(Cl)nc3[nH]ccc23)ccn1.Clc1nc(NCc2ccnc3ccccc23)c2cc[nH]c2n1.NC(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.

What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is JPTGWTBRQAMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5.C13H12ClN5O2.C13H12ClN5.C12H10ClN5O2/c17-16-21-14-12(6-8-19-14)15(22-16)20-9-10-5-7-18-13-4-2-1-3-11(10)13;1-15-12(20)9-5-8-10(16-6-7-3-2-4-21-7)18-13(14)19-11(8)17-9;1-8-6-9(2-4-15-8)7-17-12-10-3-5-16-11(10)18-13(14)19-12;13-12-17-10(15-5-6-2-1-3-20-6)7-4-8(9(14)19)16-11(7)18-12/h1-8H,9H2,(H2,19,20,21,22);2-5H,6H2,1H3,(H,15,20)(H2,16,17,18,19);2-6H,7H2,1H3,(H2,16,17,18,19);1-4H,5H2,(H2,14,19)(H2,15,16,17,18).

What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1180.91 g/mol, XLogP of 10.79, 14 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(furan-2-ylmethylamino)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-4-(furan-2-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(quinolin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158987545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).