N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine

C15H25N3 — CID 65401576

IUPACN,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(c2nc(C)cc(NC)n2)CC1
InChIInChI=1S/C15H25N3/c1-4-5-12-6-8-13(9-7-12)15-17-11(2)10-14(16-3)18-15/h10,12-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyXHMALUYJTXJNRB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.90
Rot. Bonds4

About N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine

N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine (PubChem CID 65401576) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
PubChem CID65401576
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(c2nc(C)cc(NC)n2)CC1
InChIInChI=1S/C15H25N3/c1-4-5-12-6-8-13(9-7-12)15-17-11(2)10-14(16-3)18-15/h10,12-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyXHMALUYJTXJNRB-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine (CID 65401576) is N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine is CCCC1CCC(c2nc(C)cc(NC)n2)CC1.
What is the InChIKey of N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The InChIKey is XHMALUYJTXJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-5-12-6-8-13(9-7-12)15-17-11(2)10-14(16-3)18-15/h10,12-13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 65401576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).