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

C19H19N5O2 — CID 44520964

IUPAC2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
InChIKeyBOJBVPSBZMUXPG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.37
Rot. Bonds5

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

2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520964) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520964
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24)
InChIKeyBOJBVPSBZMUXPG-UHFFFAOYSA-N
XLogP2.37
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520964) is 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ncccc3C)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is BOJBVPSBZMUXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-5-4-8-21-17(12)11-22-18(25)16-10-15(23-19(20)24-16)13-6-3-7-14(9-13)26-2/h3-10H,11H2,1-2H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).