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

C20H20ClN5O — CID 109371357

IUPAC6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C20H20ClN5O/c1-14-25-18(20(27)24-13-16-5-8-22-9-6-16)12-19(26-14)23-10-7-15-3-2-4-17(21)11-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKJHPZLXJAUXGSK-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.42
Rot. Bonds7

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

6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109371357) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109371357
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2cccc(Cl)c2)cc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C20H20ClN5O/c1-14-25-18(20(27)24-13-16-5-8-22-9-6-16)12-19(26-14)23-10-7-15-3-2-4-17(21)11-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKJHPZLXJAUXGSK-UHFFFAOYSA-N
XLogP3.42
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371330
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112847653
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368382
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363675
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109371357) is 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(NCCc2cccc(Cl)c2)cc(C(=O)NCc2ccncc2)n1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KJHPZLXJAUXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-14-25-18(20(27)24-13-16-5-8-22-9-6-16)12-19(26-14)23-10-7-15-3-2-4-17(21)11-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).