N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C18H19N5O — CID 109353483

IUPACN,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C18H19N5O/c1-3-23(4-2)18(24)15-11-16(21-12-20-15)22-14-9-5-7-13-8-6-10-19-17(13)14/h5-12H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyGAOJZMCPAMROSE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds5

About N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109353483) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109353483
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C18H19N5O/c1-3-23(4-2)18(24)15-11-16(21-12-20-15)22-14-9-5-7-13-8-6-10-19-17(13)14/h5-12H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyGAOJZMCPAMROSE-UHFFFAOYSA-N
XLogP3.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
6-(2,6-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353414
N,N-diethyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353448
N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109351150
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
6-(3,5-dimethylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353413

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109353483) is N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(Nc2cccc3cccnc23)ncn1.
What is the InChIKey of N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is GAOJZMCPAMROSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-23(4-2)18(24)15-11-16(21-12-20-15)22-14-9-5-7-13-8-6-10-19-17(13)14/h5-12H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).