6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine

C13H19N3O — CID 113390441

IUPAC6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(C2CCOC2)n1
InChIInChI=1S/C13H19N3O/c14-12-7-11(9-3-1-2-4-9)15-13(16-12)10-5-6-17-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16)
InChIKeyGGROPNRZSUIRIE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds2

About 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine

6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 113390441) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID113390441
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(C2CCOC2)n1
InChIInChI=1S/C13H19N3O/c14-12-7-11(9-3-1-2-4-9)15-13(16-12)10-5-6-17-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16)
InChIKeyGGROPNRZSUIRIE-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315087
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
CID 63352862
6-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315273
6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
CID 138039841
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463215
6-cyclohexyl-2-propan-2-ylpyrimidin-4-amine
CID 130056199
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine (CID 113390441) is 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine is Nc1cc(C2CCCC2)nc(C2CCOC2)n1.
What is the InChIKey of 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is GGROPNRZSUIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-7-11(9-3-1-2-4-9)15-13(16-12)10-5-6-17-8-10/h7,9-10H,1-6,8H2,(H2,14,15,16).
What are the key properties of 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine?
6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 113390441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).