8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

C18H21ClN4 — CID 141043958

IUPAC8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCC(C)N1CC=Cc2cnc(Nc3ccc(Cl)c(C)c3)nc21
InChIInChI=1S/C18H21ClN4/c1-4-13(3)23-9-5-6-14-11-20-18(22-17(14)23)21-15-7-8-16(19)12(2)10-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyHINLXWIQWQTTDJ-UHFFFAOYSA-N
MW328.85 g/mol
LogP4.81
Rot. Bonds4

About 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043958) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043958
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCC(C)N1CC=Cc2cnc(Nc3ccc(Cl)c(C)c3)nc21
InChIInChI=1S/C18H21ClN4/c1-4-13(3)23-9-5-6-14-11-20-18(22-17(14)23)21-15-7-8-16(19)12(2)10-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21,22)
InChIKeyHINLXWIQWQTTDJ-UHFFFAOYSA-N
XLogP4.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043875
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
2-N-(4-chloro-3-methylphenyl)-4-[cyclopentyl(ethylamino)amino]-5-N-methylpyrimidine-2,5-diamine
CID 143652685
8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
CID 141043898
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043958) is 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is CCC(C)N1CC=Cc2cnc(Nc3ccc(Cl)c(C)c3)nc21.
What is the InChIKey of 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is HINLXWIQWQTTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-4-13(3)23-9-5-6-14-11-20-18(22-17(14)23)21-15-7-8-16(19)12(2)10-15/h5-8,10-11,13H,4,9H2,1-3H3,(H,20,21,22).
What are the key properties of 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 328.85 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).