6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine

C16H29N5 — CID 80782611

IUPAC6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCC(CCC)CC2)nc(N)n1
InChIInChI=1S/C16H29N5/c1-3-5-12-6-8-13(9-7-12)19-15-11-14(18-10-4-2)20-16(17)21-15/h11-13H,3-10H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyRDSDYBNWKWIMJB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds7

About 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine

6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine (PubChem CID 80782611) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
PubChem CID80782611
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC2CCC(CCC)CC2)nc(N)n1
InChIInChI=1S/C16H29N5/c1-3-5-12-6-8-13(9-7-12)19-15-11-14(18-10-4-2)20-16(17)21-15/h11-13H,3-10H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyRDSDYBNWKWIMJB-UHFFFAOYSA-N
XLogP3.65
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine (CID 80782611) is 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine is CCCNc1cc(NC2CCC(CCC)CC2)nc(N)n1.
What is the InChIKey of 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine?
The InChIKey is RDSDYBNWKWIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-5-12-6-8-13(9-7-12)19-15-11-14(18-10-4-2)20-16(17)21-15/h11-13H,3-10H2,1-2H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine?
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine has a molecular weight of 291.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80782611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).