4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C19H24N4O2 — CID 171910836

IUPAC4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1ccccc1CN(C)c1nc(C(C)C)nc2c1CCNC2=O
InChIInChI=1S/C19H24N4O2/c1-12(2)17-21-16-14(9-10-20-19(16)24)18(22-17)23(3)11-13-7-5-6-8-15(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,20,24)
InChIKeyVBUMXPGOIIQASD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.53
Rot. Bonds5

About 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171910836) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171910836
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCOc1ccccc1CN(C)c1nc(C(C)C)nc2c1CCNC2=O
InChIInChI=1S/C19H24N4O2/c1-12(2)17-21-16-14(9-10-20-19(16)24)18(22-17)23(3)11-13-7-5-6-8-15(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,20,24)
InChIKeyVBUMXPGOIIQASD-UHFFFAOYSA-N
XLogP2.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396852
N-[(2-methoxyphenyl)methyl]-N-methylthieno[2,3-c]pyridin-7-amine
CID 119050522
3-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 61418172
3-[(2-methoxyphenyl)methyl-methylamino]pyrazine-2-carbothioamide
CID 62684959
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
2-cyclopropyl-4-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171908887
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171910836) is 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is COc1ccccc1CN(C)c1nc(C(C)C)nc2c1CCNC2=O.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is VBUMXPGOIIQASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)17-21-16-14(9-10-20-19(16)24)18(22-17)23(3)11-13-7-5-6-8-15(13)25-4/h5-8,12H,9-11H2,1-4H3,(H,20,24).
What are the key properties of 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 340.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl-methylamino]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171910836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).