(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol

C15H24N4O — CID 154770912

IUPAC(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol
SMILESCc1cc(N)nc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)n1
InChIInChI=1S/C15H24N4O/c1-10-8-14(16)18-15(17-10)19-7-6-13(20)12(9-19)11-4-2-3-5-11/h8,11-13,20H,2-7,9H2,1H3,(H2,16,17,18)/t12-,13+/m0/s1
InChIKeyIOLQVLIEJJMNEQ-QWHCGFSZSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds2

About (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol

(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol (PubChem CID 154770912) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol
PubChem CID154770912
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol
SMILESCc1cc(N)nc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)n1
InChIInChI=1S/C15H24N4O/c1-10-8-14(16)18-15(17-10)19-7-6-13(20)12(9-19)11-4-2-3-5-11/h8,11-13,20H,2-7,9H2,1H3,(H2,16,17,18)/t12-,13+/m0/s1
InChIKeyIOLQVLIEJJMNEQ-QWHCGFSZSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol (CID 154770912) is (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol is Cc1cc(N)nc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)n1.
What is the InChIKey of (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol?
The InChIKey is IOLQVLIEJJMNEQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-8-14(16)18-15(17-10)19-7-6-13(20)12(9-19)11-4-2-3-5-11/h8,11-13,20H,2-7,9H2,1H3,(H2,16,17,18)/t12-,13+/m0/s1.
What are the key properties of (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol?
(3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-amino-6-methylpyrimidin-2-yl)-3-cyclopentylpiperidin-4-ol is sourced from PubChem (CID 154770912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).