N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine

C18H20F2N4 — CID 141043875

IUPACN-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCC(CC)N1CC=Cc2cnc(Nc3cc(F)cc(F)c3)nc21
InChIInChI=1S/C18H20F2N4/c1-3-16(4-2)24-7-5-6-12-11-21-18(23-17(12)24)22-15-9-13(19)8-14(20)10-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,21,22,23)
InChIKeyVVZLTVZHHSDAAY-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.52
Rot. Bonds5

About N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine

N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043875) has the molecular formula C18H20F2N4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043875
Molecular FormulaC18H20F2N4
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC NameN-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCC(CC)N1CC=Cc2cnc(Nc3cc(F)cc(F)c3)nc21
InChIInChI=1S/C18H20F2N4/c1-3-16(4-2)24-7-5-6-12-11-21-18(23-17(12)24)22-15-9-13(19)8-14(20)10-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,21,22,23)
InChIKeyVVZLTVZHHSDAAY-UHFFFAOYSA-N
XLogP4.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-nitrophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141044002
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043958
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043897
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
CID 141043898
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70111674
7-pentan-3-yl-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 58015965
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043875) is N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCC(CC)N1CC=Cc2cnc(Nc3cc(F)cc(F)c3)nc21.
What is the InChIKey of N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is VVZLTVZHHSDAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4/c1-3-16(4-2)24-7-5-6-12-11-21-18(23-17(12)24)22-15-9-13(19)8-14(20)10-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,21,22,23).
What are the key properties of N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine?
N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 330.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).