2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

C18H24N4O — CID 109246976

IUPAC2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C18H24N4O/c1-12(2)21-16(23)13-10-19-17(20-11-13)22-15-8-6-14(7-9-15)18(3,4)5/h6-12H,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyTYMSGPORAGBLBI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.66
Rot. Bonds4

About 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109246976) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109246976
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C18H24N4O/c1-12(2)21-16(23)13-10-19-17(20-11-13)22-15-8-6-14(7-9-15)18(3,4)5/h6-12H,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyTYMSGPORAGBLBI-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246985
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
N-(4-tert-butylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265594
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (CID 109246976) is 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is TYMSGPORAGBLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)21-16(23)13-10-19-17(20-11-13)22-15-8-6-14(7-9-15)18(3,4)5/h6-12H,1-5H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).