(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C19H23ClN6O — CID 136528816

IUPAC(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCC(C)c1ncc2c(n1)CN(C(=O)c1nc(N3CCCC3)ncc1Cl)CC2
InChIInChI=1S/C19H23ClN6O/c1-12(2)17-21-9-13-5-8-26(11-15(13)23-17)18(27)16-14(20)10-22-19(24-16)25-6-3-4-7-25/h9-10,12H,3-8,11H2,1-2H3
InChIKeyIAJQALBFFVPWFD-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.84
Rot. Bonds3

About (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 136528816) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID136528816
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCC(C)c1ncc2c(n1)CN(C(=O)c1nc(N3CCCC3)ncc1Cl)CC2
InChIInChI=1S/C19H23ClN6O/c1-12(2)17-21-9-13-5-8-26(11-15(13)23-17)18(27)16-14(20)10-22-19(24-16)25-6-3-4-7-25/h9-10,12H,3-8,11H2,1-2H3
InChIKeyIAJQALBFFVPWFD-UHFFFAOYSA-N
XLogP2.84
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone with MolForge

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Related Compounds

1,3,4,5,7,8,9,9a-Octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 49222285
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 56821074
1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 56821323
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927728
5-chloro-2-methyl-4-({4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)pyrimidine
CID 72920520
(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95777217
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 56814037
7-[(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-N,N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56863196
7-[2-(4-chloro-1H-pyrazol-1-yl)propanoyl]-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56875230
1-[2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetyl]piperidine-4-carboxamide
CID 72140218
7-(1-acetylpiperidine-4-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153478
(5-Chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 45898612

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 136528816) is (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is CC(C)c1ncc2c(n1)CN(C(=O)c1nc(N3CCCC3)ncc1Cl)CC2.
What is the InChIKey of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is IAJQALBFFVPWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-12(2)17-21-9-13-5-8-26(11-15(13)23-17)18(27)16-14(20)10-22-19(24-16)25-6-3-4-7-25/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 386.89 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 136528816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).