2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine

C16H26N4O — CID 82458504

IUPAC2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCCC2)nc(NC2CC2)c1N
InChIInChI=1S/C16H26N4O/c1-2-10-21-16-13(17)15(18-12-8-9-12)19-14(20-16)11-6-4-3-5-7-11/h11-12H,2-10,17H2,1H3,(H,18,19,20)
InChIKeyIKMJSKSSFHECGX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.47
Rot. Bonds6

About 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine

2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine (PubChem CID 82458504) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
PubChem CID82458504
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCCC2)nc(NC2CC2)c1N
InChIInChI=1S/C16H26N4O/c1-2-10-21-16-13(17)15(18-12-8-9-12)19-14(20-16)11-6-4-3-5-7-11/h11-12H,2-10,17H2,1H3,(H,18,19,20)
InChIKeyIKMJSKSSFHECGX-UHFFFAOYSA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine (CID 82458504) is 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C2CCCCC2)nc(NC2CC2)c1N.
What is the InChIKey of 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine?
The InChIKey is IKMJSKSSFHECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-10-21-16-13(17)15(18-12-8-9-12)19-14(20-16)11-6-4-3-5-7-11/h11-12H,2-10,17H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine?
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).