1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol

C20H20FN5O — CID 22328728

IUPAC1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc2c(c(-c3ccc(F)cc3)n1)CCN(c1ccnc(C(C)O)n1)C2
InChIInChI=1S/C20H20FN5O/c1-12(27)20-22-9-7-18(25-20)26-10-8-16-17(11-26)23-13(2)24-19(16)14-3-5-15(21)6-4-14/h3-7,9,12,27H,8,10-11H2,1-2H3
InChIKeyCBCUPCRPWNPQLE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol

1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol (PubChem CID 22328728) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol
PubChem CID22328728
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol
SMILESCc1nc2c(c(-c3ccc(F)cc3)n1)CCN(c1ccnc(C(C)O)n1)C2
InChIInChI=1S/C20H20FN5O/c1-12(27)20-22-9-7-18(25-20)26-10-8-16-17(11-26)23-13(2)24-19(16)14-3-5-15(21)6-4-14/h3-7,9,12,27H,8,10-11H2,1-2H3
InChIKeyCBCUPCRPWNPQLE-UHFFFAOYSA-N
XLogP3.00
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
CID 22328619
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CID 22328673
(1R)-1-[4-(6-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]ethanol
CID 59899494
1-[4-[2,2-dimethyl-4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328693
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
1-[4-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 66616333
(1R)-1-[4-[(3S,5R)-4-[4-(hydroxymethyl)-6-methyl-1,3,5-triazin-2-yl]-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59083738
(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 59984439
4-(4-fluorophenyl)-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;hydrochloride
CID 66616388
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328845
4-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)phenol
CID 155901005
4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 10069257

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol (CID 22328728) is 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol is Cc1nc2c(c(-c3ccc(F)cc3)n1)CCN(c1ccnc(C(C)O)n1)C2.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol?
The InChIKey is CBCUPCRPWNPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-12(27)20-22-9-7-18(25-20)26-10-8-16-17(11-26)23-13(2)24-19(16)14-3-5-15(21)6-4-14/h3-7,9,12,27H,8,10-11H2,1-2H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol?
1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol has a molecular weight of 365.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22328728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).