8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine

C19H16F2N4O — CID 141041218

IUPAC8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine
SMILESCOc1nc(-c2ccccc2)c2c(n1)N(c1c(F)cccc1F)CNC2
InChIInChI=1S/C19H16F2N4O/c1-26-19-23-16(12-6-3-2-4-7-12)13-10-22-11-25(18(13)24-19)17-14(20)8-5-9-15(17)21/h2-9,22H,10-11H2,1H3
InChIKeyNPAJLEPPJSKDCD-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.63
Rot. Bonds3

About 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine

8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine (PubChem CID 141041218) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine
PubChem CID141041218
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine
SMILESCOc1nc(-c2ccccc2)c2c(n1)N(c1c(F)cccc1F)CNC2
InChIInChI=1S/C19H16F2N4O/c1-26-19-23-16(12-6-3-2-4-7-12)13-10-22-11-25(18(13)24-19)17-14(20)8-5-9-15(17)21/h2-9,22H,10-11H2,1H3
InChIKeyNPAJLEPPJSKDCD-UHFFFAOYSA-N
XLogP3.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine with MolForge

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Related Compounds

Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
Revaprazan Hydrochloride
CID 204103
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822
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-(4-((3,5-Difluorobenzyl)amino)phenyl)-6-ethylpyrimidine-2,4-diamine
CID 6914633

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine?
The IUPAC name of 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine (CID 141041218) is 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine is COc1nc(-c2ccccc2)c2c(n1)N(c1c(F)cccc1F)CNC2.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine?
The InChIKey is NPAJLEPPJSKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-26-19-23-16(12-6-3-2-4-7-12)13-10-22-11-25(18(13)24-19)17-14(20)8-5-9-15(17)21/h2-9,22H,10-11H2,1H3.
What are the key properties of 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine?
8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine has a molecular weight of 354.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-methoxy-4-phenyl-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 141041218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).