N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C13H16ClF2N3 — CID 122096075

IUPACN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClF2N3/c1-19-8-2-7-17-12(19)18-9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyWZLPMHBQZMCGLY-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.71
Rot. Bonds3

About N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096075) has the molecular formula C13H16ClF2N3 and a molecular weight of 287.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096075
Molecular FormulaC13H16ClF2N3
Molecular Weight287.74 g/mol
Exact Mass287.10
IUPAC NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClF2N3/c1-19-8-2-7-17-12(19)18-9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyWZLPMHBQZMCGLY-UHFFFAOYSA-N
XLogP2.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096075) is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCC(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is WZLPMHBQZMCGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3/c1-19-8-2-7-17-12(19)18-9-13(15,16)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 287.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).