2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C19H19N5O — CID 44520961

IUPAC2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1
InChIInChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
InChIKeyKBDRHCFCSHAAEU-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.67
Rot. Bonds4

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

2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520961) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520961
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1
InChIInChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
InChIKeyKBDRHCFCSHAAEU-UHFFFAOYSA-N
XLogP2.67
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520961) is 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is KBDRHCFCSHAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12-5-3-7-14(9-12)15-10-16(24-19(20)23-15)18(25)22-11-17-13(2)6-4-8-21-17/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).