N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine

C13H19F2N3 — CID 156872310

IUPACN-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine
SMILESCCN(CC1CCCCC1)c1ncnc(F)c1F
InChIInChI=1S/C13H19F2N3/c1-2-18(8-10-6-4-3-5-7-10)13-11(14)12(15)16-9-17-13/h9-10H,2-8H2,1H3
InChIKeyYZCXKFHVFGBYGM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.16
Rot. Bonds4

About N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine

N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine (PubChem CID 156872310) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine
PubChem CID156872310
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine
SMILESCCN(CC1CCCCC1)c1ncnc(F)c1F
InChIInChI=1S/C13H19F2N3/c1-2-18(8-10-6-4-3-5-7-10)13-11(14)12(15)16-9-17-13/h9-10H,2-8H2,1H3
InChIKeyYZCXKFHVFGBYGM-UHFFFAOYSA-N
XLogP3.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine (CID 156872310) is N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine is CCN(CC1CCCCC1)c1ncnc(F)c1F.
What is the InChIKey of N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine?
The InChIKey is YZCXKFHVFGBYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-2-18(8-10-6-4-3-5-7-10)13-11(14)12(15)16-9-17-13/h9-10H,2-8H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine?
N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine has a molecular weight of 255.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-ethyl-5,6-difluoropyrimidin-4-amine is sourced from PubChem (CID 156872310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).