N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H21N5O — CID 109357666

IUPACN-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C23H21N5O/c1-15(2)16-8-10-18(11-9-16)27-23(29)20-13-21(26-14-25-20)28-19-7-3-5-17-6-4-12-24-22(17)19/h3-15H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyRRELMDJLJKANQV-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.14
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109357666) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109357666
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C23H21N5O/c1-15(2)16-8-10-18(11-9-16)27-23(29)20-13-21(26-14-25-20)28-19-7-3-5-17-6-4-12-24-22(17)19/h3-15H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyRRELMDJLJKANQV-UHFFFAOYSA-N
XLogP5.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
6-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109359721
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109357666) is N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CC(C)c1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is RRELMDJLJKANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(2)16-8-10-18(11-9-16)27-23(29)20-13-21(26-14-25-20)28-19-7-3-5-17-6-4-12-24-22(17)19/h3-15H,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).