2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

C18H20N6O2 — CID 59022906

IUPAC2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c(N(C)C)n1
InChIInChI=1S/C18H20N6O2/c1-11-6-7-12(16(21-11)24(2)3)10-20-17(25)14-9-13(22-18(19)23-14)15-5-4-8-26-15/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,22,23)
InChIKeyPTXJKBRZERRRGV-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (PubChem CID 59022906) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
PubChem CID59022906
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c(N(C)C)n1
InChIInChI=1S/C18H20N6O2/c1-11-6-7-12(16(21-11)24(2)3)10-20-17(25)14-9-13(22-18(19)23-14)15-5-4-8-26-15/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,22,23)
InChIKeyPTXJKBRZERRRGV-UHFFFAOYSA-N
XLogP2.02
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (CID 59022906) is 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c(N(C)C)n1.
What is the InChIKey of 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is PTXJKBRZERRRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-6-7-12(16(21-11)24(2)3)10-20-17(25)14-9-13(22-18(19)23-14)15-5-4-8-26-15/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,22,23).
What are the key properties of 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(dimethylamino)-6-methyl-3-pyridinyl]methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59022906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).