6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine

C13H22N4O — CID 19135733

IUPAC6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCC(C)Nc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-12-11(14)13(16-8-15-12)18-10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyYZQDKBCEIHKYJL-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.59
Rot. Bonds4

About 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine

6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 19135733) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID19135733
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCC(C)Nc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)17-12-11(14)13(16-8-15-12)18-10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyYZQDKBCEIHKYJL-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine 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 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 19135733) is 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine is CC(C)Nc1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is YZQDKBCEIHKYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-12-11(14)13(16-8-15-12)18-10-6-4-3-5-7-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).