[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

C19H23ClN4O — CID 137363251

IUPAC[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H23ClN4O/c20-19-21-17-12-23(11-14-5-2-1-3-6-14)10-8-16(17)18(22-19)24-9-4-7-15(24)13-25/h1-3,5-6,15,25H,4,7-13H2/t15-/m0/s1
InChIKeyOKGYXIGFOODQHM-HNNXBMFYSA-N
MW358.87 g/mol
LogP2.65
Rot. Bonds4

About [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 137363251) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID137363251
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H23ClN4O/c20-19-21-17-12-23(11-14-5-2-1-3-6-14)10-8-16(17)18(22-19)24-9-4-7-15(24)13-25/h1-3,5-6,15,25H,4,7-13H2/t15-/m0/s1
InChIKeyOKGYXIGFOODQHM-HNNXBMFYSA-N
XLogP2.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
tert-butyl 4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[7-benzyl-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 159548901
4-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 155124592
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
4-(7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenol
CID 155345009
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 137363251) is [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is OKGYXIGFOODQHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-19-21-17-12-23(11-14-5-2-1-3-6-14)10-8-16(17)18(22-19)24-9-4-7-15(24)13-25/h1-3,5-6,15,25H,4,7-13H2/t15-/m0/s1.
What are the key properties of [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 358.87 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(7-benzyl-2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).