N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109338961

IUPACN-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C17H22N4O2/c1-11(2)20-17(22)15-9-16(19-10-18-15)21-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyVIPYWHQNEGPFFP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds6

About N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109338961) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109338961
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C17H22N4O2/c1-11(2)20-17(22)15-9-16(19-10-18-15)21-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyVIPYWHQNEGPFFP-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109342707
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338994
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109350805

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109338961) is N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(Nc2ccc(OC(C)C)cc2)ncn1.
What is the InChIKey of N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is VIPYWHQNEGPFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)20-17(22)15-9-16(19-10-18-15)21-13-5-7-14(8-6-13)23-12(3)4/h5-12H,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).