2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide

C15H15N5O2 — CID 44520981

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1
InChIInChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20)
InChIKeyOHYATDXPRIBEDD-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520981) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520981
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1
InChIInChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20)
InChIKeyOHYATDXPRIBEDD-UHFFFAOYSA-N
XLogP1.89
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4-carboxamide, 118
CID 44520982
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 122
CID 11232232
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976
Pyrimidine-4-carboxamide, 115
CID 44520980
Pyridyl derivative, 15
CID 44520940

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520981) is 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccc[nH]3)nc(N)n2)o1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OHYATDXPRIBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylfuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).