4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C13H20N4 — CID 112882659

IUPAC4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NC2CCCCC2)n1
InChIInChI=1S/C13H20N4/c1-2-9-14-13-15-10-8-12(17-13)16-11-6-4-3-5-7-11/h2,8,10-11H,1,3-7,9H2,(H2,14,15,16,17)
InChIKeyZYXSLUKLNWJNPL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.82
Rot. Bonds5

About 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112882659) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112882659
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nccc(NC2CCCCC2)n1
InChIInChI=1S/C13H20N4/c1-2-9-14-13-15-10-8-12(17-13)16-11-6-4-3-5-7-11/h2,8,10-11H,1,3-7,9H2,(H2,14,15,16,17)
InChIKeyZYXSLUKLNWJNPL-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112882659) is 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nccc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is ZYXSLUKLNWJNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-9-14-13-15-10-8-12(17-13)16-11-6-4-3-5-7-11/h2,8,10-11H,1,3-7,9H2,(H2,14,15,16,17).
What are the key properties of 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).