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

C18H19N5O2 — CID 44520978

IUPAC2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1
InChIInChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
InChIKeyHPDQBZCPEASACQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.57
Rot. Bonds4

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

2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 44520978) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID44520978
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1
InChIInChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23)
InChIKeyHPDQBZCPEASACQ-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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Related Compounds

2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4-carboxamide
CID 59022880
2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022902
2-amino-N-hexyl-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022894
2-amino-6-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 44520985
2-amino-6-(5-methylfuran-2-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 11403877
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
2-amino-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 137214508
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 59022913
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
2-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 11473907
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 44520978) is 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is Cc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1.
What is the InChIKey of 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is HPDQBZCPEASACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-6-11(2)21-13(7-10)9-20-17(24)15-8-14(22-18(19)23-15)16-5-4-12(3)25-16/h4-8H,9H2,1-3H3,(H,20,24)(H2,19,22,23).
What are the key properties of 2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(4,6-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-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).