[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone

C19H22N4O — CID 92608142

IUPAC[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESCN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H22N4O/c1-22-10-5-8-17(22)18-20-12-15-13-23(11-9-16(15)21-18)19(24)14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11,13H2,1H3/t17-/m1/s1
InChIKeyTUJHVHOAQJJIDB-QGZVFWFLSA-N
MW322.41 g/mol
LogP2.44
Rot. Bonds2

About [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone

[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 92608142) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
PubChem CID92608142
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESCN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H22N4O/c1-22-10-5-8-17(22)18-20-12-15-13-23(11-9-16(15)21-18)19(24)14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11,13H2,1H3/t17-/m1/s1
InChIKeyTUJHVHOAQJJIDB-QGZVFWFLSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92549157
phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92574070
2-(4-methylphenyl)-1-[2-(1-methylpyrrolidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241073
2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92557773
[(1S)-cyclohex-3-en-1-yl]-[2-[(2S)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 124820498
(2R)-2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92556623
(2-ethoxy-3-pyridinyl)-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92593260
(3-methoxyphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608015
(4R)-1-cyclopentyl-4-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 95856716
1-[(2R)-2-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 92549702
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 92549152
1-[4-[6-(3-methoxybenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549001

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?
The IUPAC name of [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone (CID 92608142) is [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone.
What is the SMILES notation for [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?
The canonical SMILES for [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone is CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?
The InChIKey is TUJHVHOAQJJIDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-10-5-8-17(22)18-20-12-15-13-23(11-9-16(15)21-18)19(24)14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11,13H2,1H3/t17-/m1/s1.
What are the key properties of [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone?
[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 322.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 92608142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).