2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C18H19N5O2 — CID 44520977

IUPAC2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1
InChIInChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
InChIKeyIHJMUJRGBAZKRS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 44520977) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID44520977
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1
InChIInChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
InChIKeyIHJMUJRGBAZKRS-UHFFFAOYSA-N
XLogP2.57
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 44520977) is 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is Cc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1.
What is the InChIKey of 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is IHJMUJRGBAZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-4-5-11(2)21-15(10)9-20-17(24)14-8-13(22-18(19)23-14)16-7-6-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23).
What are the key properties of 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).