7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H21F2N3O2 — CID 135864373

IUPAC7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C18H21F2N3O2/c1-2-5-16-21-14-11-23(9-8-13(14)17(24)22-16)10-12-6-3-4-7-15(12)25-18(19)20/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,21,22,24)
InChIKeyQPQULGURAIVQMN-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.88
Rot. Bonds6

About 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864373) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864373
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C18H21F2N3O2/c1-2-5-16-21-14-11-23(9-8-13(14)17(24)22-16)10-12-6-3-4-7-15(12)25-18(19)20/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,21,22,24)
InChIKeyQPQULGURAIVQMN-UHFFFAOYSA-N
XLogP2.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-(Trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-ol
CID 135419003
6-(Methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-4-pyrimidinol
CID 135444409
2-(2-Difluoromethoxy-6-methoxy-phenyl)-5-dipropylamino-3-ethyl-6-methyl-3H-pyrimidin-4-one
CID 44462209
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
N-[(2-Methoxyphenyl)methyl]-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 5310426
2-(2,6-dimethoxyphenyl)-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 135553001
2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(2-methoxyphenethyl)acetamide
CID 25884736
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 49675572
2-Methyl-6-[2-({2-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136046732
6-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136102769
2-(4-fluorophenyl)-7-[3-(3-methoxyphenyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112244
2-[2-(difluoromethoxy)-6-methoxyphenyl]-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186042

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864373) is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1OC(F)F)C2.
What is the InChIKey of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QPQULGURAIVQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-2-5-16-21-14-11-23(9-8-13(14)17(24)22-16)10-12-6-3-4-7-15(12)25-18(19)20/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,21,22,24).
What are the key properties of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 349.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).