2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

C22H25N5O — CID 109260702

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C22H25N5O/c1-16(2)19-6-4-5-7-20(19)26-21(28)18-14-24-22(25-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,26,28)
InChIKeyXMUFODWWPMEXHP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.93
Rot. Bonds7

About 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109260702) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109260702
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cnc(N(C)CCc2ccncc2)nc1
InChIInChI=1S/C22H25N5O/c1-16(2)19-6-4-5-7-20(19)26-21(28)18-14-24-22(25-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,26,28)
InChIKeyXMUFODWWPMEXHP-UHFFFAOYSA-N
XLogP3.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026055

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109260702) is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccccc1NC(=O)c1cnc(N(C)CCc2ccncc2)nc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XMUFODWWPMEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(2)19-6-4-5-7-20(19)26-21(28)18-14-24-22(25-15-18)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16H,10,13H2,1-3H3,(H,26,28).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109260702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).