4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol

C15H25N3O — CID 56879737

IUPAC4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,19)9-11-18(3)14-16-10-8-13(17-14)12-6-4-5-7-12/h8,10,12,19H,4-7,9,11H2,1-3H3
InChIKeyRHTQAQYBLVDVQN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds5

About 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol

4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol (PubChem CID 56879737) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol
PubChem CID56879737
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,19)9-11-18(3)14-16-10-8-13(17-14)12-6-4-5-7-12/h8,10,12,19H,4-7,9,11H2,1-3H3
InChIKeyRHTQAQYBLVDVQN-UHFFFAOYSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol (CID 56879737) is 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol is CN(CCC(C)(C)O)c1nccc(C2CCCC2)n1.
What is the InChIKey of 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol?
The InChIKey is RHTQAQYBLVDVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,19)9-11-18(3)14-16-10-8-13(17-14)12-6-4-5-7-12/h8,10,12,19H,4-7,9,11H2,1-3H3.
What are the key properties of 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol?
4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 56879737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).