N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C19H21N5O — CID 109263486

IUPACN-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C19H21N5O/c1-13(2)8-10-21-18(25)15-11-22-19(23-12-15)24-16-7-3-5-14-6-4-9-20-17(14)16/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHTKSGPYSJWMIIZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.54
Rot. Bonds6

About N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109263486) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109263486
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C19H21N5O/c1-13(2)8-10-21-18(25)15-11-22-19(23-12-15)24-16-7-3-5-14-6-4-9-20-17(14)16/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHTKSGPYSJWMIIZ-UHFFFAOYSA-N
XLogP3.54
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109255647
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109263486) is N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is CC(C)CCNC(=O)c1cnc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is HTKSGPYSJWMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)8-10-21-18(25)15-11-22-19(23-12-15)24-16-7-3-5-14-6-4-9-20-17(14)16/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).