2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine

C11H15Cl2N3 — CID 79633102

IUPAC2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCC2CCCCC2)n1
InChIInChI=1S/C11H15Cl2N3/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15,16)
InChIKeyOVMAFBBYWHRXRH-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.78
Rot. Bonds3

About 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine

2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine (PubChem CID 79633102) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
PubChem CID79633102
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCC2CCCCC2)n1
InChIInChI=1S/C11H15Cl2N3/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15,16)
InChIKeyOVMAFBBYWHRXRH-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine (CID 79633102) is 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine is Clc1ncc(Cl)c(NCC2CCCCC2)n1.
What is the InChIKey of 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine?
The InChIKey is OVMAFBBYWHRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c12-9-7-15-11(13)16-10(9)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine?
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine has a molecular weight of 260.17 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79633102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).