4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine

C20H24FN3O — CID 141065182

IUPAC4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine
SMILESCCC(CC)N1CC=Cc2c(-c3ccc(F)cc3C)nc(OC)nc21
InChIInChI=1S/C20H24FN3O/c1-5-15(6-2)24-11-7-8-17-18(22-20(25-4)23-19(17)24)16-10-9-14(21)12-13(16)3/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyRTODVUIIPUNIPC-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine

4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 141065182) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine
PubChem CID141065182
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine
SMILESCCC(CC)N1CC=Cc2c(-c3ccc(F)cc3C)nc(OC)nc21
InChIInChI=1S/C20H24FN3O/c1-5-15(6-2)24-11-7-8-17-18(22-20(25-4)23-19(17)24)16-10-9-14(21)12-13(16)3/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyRTODVUIIPUNIPC-UHFFFAOYSA-N
XLogP4.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Revaprazan
CID 204104
Revaprazan Hydrochloride
CID 204103
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
A-940894
CID 25071319
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
14-Fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25128824
5-(Aminomethyl)-6-(2-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10286219
6-Ethyl-5-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 13926967
2-tert-Butyl-4-(4-fluoro-phenyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
CID 16062136
2-(Butan-2-yl)-4-(4-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062139
4-(4-Fluorophenyl)-2-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16062651

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine (CID 141065182) is 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine is CCC(CC)N1CC=Cc2c(-c3ccc(F)cc3C)nc(OC)nc21.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is RTODVUIIPUNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-5-15(6-2)24-11-7-8-17-18(22-20(25-4)23-19(17)24)16-10-9-14(21)12-13(16)3/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine?
4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 341.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-methoxy-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141065182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).