N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C21H19N5O2 — CID 109359156

IUPACN-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-20-11-18(23-13-24-20)21(27)25-16-7-5-6-15(10-16)12-22/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyPSBDYQGRMQQJRM-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.13
Rot. Bonds6

About N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109359156) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109359156
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-20-11-18(23-13-24-20)21(27)25-16-7-5-6-15(10-16)12-22/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyPSBDYQGRMQQJRM-UHFFFAOYSA-N
XLogP4.13
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358999
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
3-[[5-(2-propan-2-yloxyanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112967806

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109359156) is N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is PSBDYQGRMQQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-20-11-18(23-13-24-20)21(27)25-16-7-5-6-15(10-16)12-22/h3-11,13-14H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).