4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C15H23N3O — CID 95401343

IUPAC4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@H]1CCCO1)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H23N3O/c1-18(11-13-7-4-10-19-13)15-16-9-8-14(17-15)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3/t13-/m1/s1
InChIKeyYRNJNHGZFOVGRF-CYBMUJFWSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds4

About 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 95401343) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID95401343
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(C[C@H]1CCCO1)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H23N3O/c1-18(11-13-7-4-10-19-13)15-16-9-8-14(17-15)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3/t13-/m1/s1
InChIKeyYRNJNHGZFOVGRF-CYBMUJFWSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 95401343) is 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CN(C[C@H]1CCCO1)c1nccc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is YRNJNHGZFOVGRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-13-7-4-10-19-13)15-16-9-8-14(17-15)12-5-2-3-6-12/h8-9,12-13H,2-7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95401343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).