4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

C17H30N4 — CID 80801837

IUPAC4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC(CC)C2CCCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-11-18-17-19-12-13(3)16(21-17)20-15(5-2)14-9-7-6-8-10-14/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyDRJHOXHREWCSAW-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.38
Rot. Bonds7

About 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80801837) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80801837
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(NC(CC)C2CCCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-11-18-17-19-12-13(3)16(21-17)20-15(5-2)14-9-7-6-8-10-14/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyDRJHOXHREWCSAW-UHFFFAOYSA-N
XLogP4.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80801837) is 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(NC(CC)C2CCCCC2)n1.
What is the InChIKey of 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is DRJHOXHREWCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-11-18-17-19-12-13(3)16(21-17)20-15(5-2)14-9-7-6-8-10-14/h12,14-15H,4-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80801837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).