4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine

C15H23N3O — CID 56869794

IUPAC4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(C2CCCC2)nc(NCC2CCCCO2)n1
InChIInChI=1S/C15H23N3O/c1-2-6-12(5-1)14-8-9-16-15(18-14)17-11-13-7-3-4-10-19-13/h8-9,12-13H,1-7,10-11H2,(H,16,17,18)
InChIKeyYJMASQIMKZWBGX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds4

About 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine

4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 56869794) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
PubChem CID56869794
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(C2CCCC2)nc(NCC2CCCCO2)n1
InChIInChI=1S/C15H23N3O/c1-2-6-12(5-1)14-8-9-16-15(18-14)17-11-13-7-3-4-10-19-13/h8-9,12-13H,1-7,10-11H2,(H,16,17,18)
InChIKeyYJMASQIMKZWBGX-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46990297
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
4-N-(1,1-dioxothiolan-3-yl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886873
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
4-N-(2,3-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886962
4-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886926
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine (CID 56869794) is 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine is c1cc(C2CCCC2)nc(NCC2CCCCO2)n1.
What is the InChIKey of 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is YJMASQIMKZWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-12(5-1)14-8-9-16-15(18-14)17-11-13-7-3-4-10-19-13/h8-9,12-13H,1-7,10-11H2,(H,16,17,18).
What are the key properties of 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine?
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 56869794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).