N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C18H24N4O — CID 109262867

IUPACN-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)14-8-6-7-9-15(14)21-17-19-10-13(11-20-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyHHKMXHNKHVWWHY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.87
Rot. Bonds4

About N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109262867) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109262867
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)14-8-6-7-9-15(14)21-17-19-10-13(11-20-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21)
InChIKeyHHKMXHNKHVWWHY-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109262949
methyl 2-[[5-(tert-butylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262907
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139
N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109265491
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
2-[2,6-di(propan-2-yl)anilino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109262867) is N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is CC(C)c1ccccc1Nc1ncc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is HHKMXHNKHVWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)14-8-6-7-9-15(14)21-17-19-10-13(11-20-17)16(23)22-18(3,4)5/h6-12H,1-5H3,(H,22,23)(H,19,20,21).
What are the key properties of N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).