(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol

C14H21N3O2 — CID 72880324

IUPAC(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol
SMILESCc1nc2c(c(N3CC[C@](C)(O)[C@@H](O)C3)n1)CCC2
InChIInChI=1S/C14H21N3O2/c1-9-15-11-5-3-4-10(11)13(16-9)17-7-6-14(2,19)12(18)8-17/h12,18-19H,3-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyYDYPSEDDHWWCBG-JSGCOSHPSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds1

About (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol

(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol (PubChem CID 72880324) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol
PubChem CID72880324
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol
SMILESCc1nc2c(c(N3CC[C@](C)(O)[C@@H](O)C3)n1)CCC2
InChIInChI=1S/C14H21N3O2/c1-9-15-11-5-3-4-10(11)13(16-9)17-7-6-14(2,19)12(18)8-17/h12,18-19H,3-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyYDYPSEDDHWWCBG-JSGCOSHPSA-N
XLogP0.60
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol (CID 72880324) is (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol is Cc1nc2c(c(N3CC[C@](C)(O)[C@@H](O)C3)n1)CCC2.
What is the InChIKey of (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol?
The InChIKey is YDYPSEDDHWWCBG-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-15-11-5-3-4-10(11)13(16-9)17-7-6-14(2,19)12(18)8-17/h12,18-19H,3-8H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol?
(3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol has a molecular weight of 263.34 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3,4-diol is sourced from PubChem (CID 72880324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).