4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

C15H24N4O — CID 126424927

IUPAC4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESNc1nc([C@H]2CCOC2)cc(N2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18)/t12-/m0/s1
InChIKeyRDUXBMRPXHHZMP-LBPRGKRZSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds2

About 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine

4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 126424927) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID126424927
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
SMILESNc1nc([C@H]2CCOC2)cc(N2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18)/t12-/m0/s1
InChIKeyRDUXBMRPXHHZMP-LBPRGKRZSA-N
XLogP2.33
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine (CID 126424927) is 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is Nc1nc([C@H]2CCOC2)cc(N2CCCCCCC2)n1.
What is the InChIKey of 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is RDUXBMRPXHHZMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18)/t12-/m0/s1.
What are the key properties of 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine?
4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 126424927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).