2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C21H23N5O — CID 109259160

IUPAC2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C21H23N5O/c1-21(2,3)17-6-4-5-7-18(17)26-20-24-13-16(14-25-20)19(27)23-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFWZSYVLKTBSDOZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259160) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259160
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1ncc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C21H23N5O/c1-21(2,3)17-6-4-5-7-18(17)26-20-24-13-16(14-25-20)19(27)23-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyFWZSYVLKTBSDOZ-UHFFFAOYSA-N
XLogP3.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259148
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259175
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109247885
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259160) is 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is CC(C)(C)c1ccccc1Nc1ncc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is FWZSYVLKTBSDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-21(2,3)17-6-4-5-7-18(17)26-20-24-13-16(14-25-20)19(27)23-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).