2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol

C18H23N5O — CID 165397105

IUPAC2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccnc(NCCO)c3)n1)CCC2
InChIInChI=1S/C18H23N5O/c1-12-6-9-23(12)18-21-15-4-2-3-14(15)17(22-18)13-5-7-19-16(11-13)20-8-10-24/h5,7,11-12,24H,2-4,6,8-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLSETZFLPWAUAOV-LBPRGKRZSA-N
MW325.42 g/mol
LogP2.03
Rot. Bonds5

About 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol

2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol (PubChem CID 165397105) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
PubChem CID165397105
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccnc(NCCO)c3)n1)CCC2
InChIInChI=1S/C18H23N5O/c1-12-6-9-23(12)18-21-15-4-2-3-14(15)17(22-18)13-5-7-19-16(11-13)20-8-10-24/h5,7,11-12,24H,2-4,6,8-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLSETZFLPWAUAOV-LBPRGKRZSA-N
XLogP2.03
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 165397236
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
CID 165396533
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
CID 165396571
5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridin-2-amine
CID 165396801
4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 171059174
5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
CID 175506591
2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 175506598
N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 167408875
N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
CID 165396350
2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396811
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 165395931
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione
CID 165396651

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol (CID 165397105) is 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol is C[C@H]1CCN1c1nc2c(c(-c3ccnc(NCCO)c3)n1)CCC2.
What is the InChIKey of 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is LSETZFLPWAUAOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-6-9-23(12)18-21-15-4-2-3-14(15)17(22-18)13-5-7-19-16(11-13)20-8-10-24/h5,7,11-12,24H,2-4,6,8-10H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol?
2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 165397105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).