N-(4-methoxycyclohexyl)pyrimidin-4-amine

C11H17N3O — CID 123137829

IUPACN-(4-methoxycyclohexyl)pyrimidin-4-amine
SMILESCOC1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C11H17N3O/c1-15-10-4-2-9(3-5-10)14-11-6-7-12-8-13-11/h6-10H,2-5H2,1H3,(H,12,13,14)
InChIKeyDGJMGCZWXQGYPF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.85
Rot. Bonds3

About N-(4-methoxycyclohexyl)pyrimidin-4-amine

N-(4-methoxycyclohexyl)pyrimidin-4-amine (PubChem CID 123137829) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)pyrimidin-4-amine
PubChem CID123137829
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4-methoxycyclohexyl)pyrimidin-4-amine
SMILESCOC1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C11H17N3O/c1-15-10-4-2-9(3-5-10)14-11-6-7-12-8-13-11/h6-10H,2-5H2,1H3,(H,12,13,14)
InChIKeyDGJMGCZWXQGYPF-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)pyrimidin-4-amine?
The IUPAC name of N-(4-methoxycyclohexyl)pyrimidin-4-amine (CID 123137829) is N-(4-methoxycyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxycyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxycyclohexyl)pyrimidin-4-amine is COC1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)pyrimidin-4-amine?
The InChIKey is DGJMGCZWXQGYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-10-4-2-9(3-5-10)14-11-6-7-12-8-13-11/h6-10H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(4-methoxycyclohexyl)pyrimidin-4-amine?
N-(4-methoxycyclohexyl)pyrimidin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 123137829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).