6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C21H23N5O2 — CID 109371330

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1
InChIInChI=1S/C21H23N5O2/c1-15-25-19(21(27)24-14-17-6-9-22-10-7-17)13-20(26-15)23-11-8-16-4-3-5-18(12-16)28-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyFZZCQAVEWLUIGX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.77
Rot. Bonds8

About 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109371330) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109371330
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1
InChIInChI=1S/C21H23N5O2/c1-15-25-19(21(27)24-14-17-6-9-22-10-7-17)13-20(26-15)23-11-8-16-4-3-5-18(12-16)28-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyFZZCQAVEWLUIGX-UHFFFAOYSA-N
XLogP2.77
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371357
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109371330) is 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FZZCQAVEWLUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-25-19(21(27)24-14-17-6-9-22-10-7-17)13-20(26-15)23-11-8-16-4-3-5-18(12-16)28-2/h3-7,9-10,12-13H,8,11,14H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).