2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine

C22H19F2N7O — CID 160722853

IUPAC2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(O)c(F)c(F)c1.c1cncnc1
InChIInChI=1S/C18H15F2N5O.C4H4N2/c1-10-12-9-23-18(17-21-4-2-5-22-17)24-14(12)3-6-25(10)11-7-13(19)16(20)15(26)8-11;1-2-5-4-6-3-1/h2,4-5,7-10,26H,3,6H2,1H3;1-4H
InChIKeyRTIDMUMHFOQLIJ-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.52
Rot. Bonds2

About 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine

2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine (PubChem CID 160722853) has the molecular formula C22H19F2N7O and a molecular weight of 435.44 g/mol. Its IUPAC name is 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine.

Molecular Properties

Compound Name2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine
PubChem CID160722853
Molecular FormulaC22H19F2N7O
Molecular Weight435.44 g/mol
Exact Mass435.16
IUPAC Name2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(O)c(F)c(F)c1.c1cncnc1
InChIInChI=1S/C18H15F2N5O.C4H4N2/c1-10-12-9-23-18(17-21-4-2-5-22-17)24-14(12)3-6-25(10)11-7-13(19)16(20)15(26)8-11;1-2-5-4-6-3-1/h2,4-5,7-10,26H,3,6H2,1H3;1-4H
InChIKeyRTIDMUMHFOQLIJ-UHFFFAOYSA-N
XLogP3.52
TPSA100.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
6-[3-(difluoromethoxy)-4,5-difluorophenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669949
6-[3,4-difluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669880
6-(3-fluoro-5-methoxyphenyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669791
1-[4-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 122669708
(5R)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(5S)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158354926
6-[3,4-difluoro-5-[2-(oxolan-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669939
1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one
CID 122669657
3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]-N-[dihydroxy(2-methoxyethyl)-λ4-sulfanyl]propan-1-amine
CID 163496729
tert-butyl-[6-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]hexyl]carbamic acid
CID 138683279
6-[3,4-difluoro-5-[2-(1-methylsulfonylazetidin-3-yl)ethoxy]phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669859
6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669681

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine?
The IUPAC name of 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine (CID 160722853) is 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine.
What is the SMILES notation for 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine?
The canonical SMILES for 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(O)c(F)c(F)c1.c1cncnc1.
What is the InChIKey of 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine?
The InChIKey is RTIDMUMHFOQLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O.C4H4N2/c1-10-12-9-23-18(17-21-4-2-5-22-17)24-14(12)3-6-25(10)11-7-13(19)16(20)15(26)8-11;1-2-5-4-6-3-1/h2,4-5,7-10,26H,3,6H2,1H3;1-4H.
What are the key properties of 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine?
2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine has a molecular weight of 435.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenol;pyrimidine is sourced from PubChem (CID 160722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).