(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol

C14H23N3O — CID 56867442

IUPAC(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(10-18)6-8-15-14-16-9-7-13(17-14)12-4-2-3-5-12/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyITKPVYCCURXZSF-LLVKDONJSA-N
MW249.36 g/mol
LogP2.56
Rot. Bonds6

About (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol

(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 56867442) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
PubChem CID56867442
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNc1nccc(C2CCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(10-18)6-8-15-14-16-9-7-13(17-14)12-4-2-3-5-12/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,15,16,17)/t11-/m1/s1
InChIKeyITKPVYCCURXZSF-LLVKDONJSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol (CID 56867442) is (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol is C[C@@H](CO)CCNc1nccc(C2CCCC2)n1.
What is the InChIKey of (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is ITKPVYCCURXZSF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(10-18)6-8-15-14-16-9-7-13(17-14)12-4-2-3-5-12/h7,9,11-12,18H,2-6,8,10H2,1H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol?
(2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-cyclopentylpyrimidin-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 56867442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).