6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine

C13H20N4O — CID 19136117

IUPAC6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C13H20N4O/c1-2-8-15-12-11(14)13(17-9-16-12)18-10-6-4-3-5-7-10/h2,9-10H,1,3-8,14H2,(H,15,16,17)
InChIKeyQXCCZQSALFKHPW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.37
Rot. Bonds5

About 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine

6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine (PubChem CID 19136117) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine
PubChem CID19136117
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C13H20N4O/c1-2-8-15-12-11(14)13(17-9-16-12)18-10-6-4-3-5-7-10/h2,9-10H,1,3-8,14H2,(H,15,16,17)
InChIKeyQXCCZQSALFKHPW-UHFFFAOYSA-N
XLogP2.37
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine (CID 19136117) is 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine is C=CCNc1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
The InChIKey is QXCCZQSALFKHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-8-15-12-11(14)13(17-9-16-12)18-10-6-4-3-5-7-10/h2,9-10H,1,3-8,14H2,(H,15,16,17).
What are the key properties of 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-prop-2-enylpyrimidine-4,5-diamine is sourced from PubChem (CID 19136117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).