2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine

C17H22ClN3 — CID 62755656

IUPAC2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H22ClN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-6-8-15(18)9-7-14/h6-9,11,19H,5,10H2,1-4H3
InChIKeyWSPRHMSIBGFBKV-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.13
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine

2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine (PubChem CID 62755656) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
PubChem CID62755656
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1c(C)nc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H22ClN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-6-8-15(18)9-7-14/h6-9,11,19H,5,10H2,1-4H3
InChIKeyWSPRHMSIBGFBKV-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine (CID 62755656) is 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine is CCNCC(C)c1c(C)nc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
The InChIKey is WSPRHMSIBGFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-5-19-10-11(2)16-12(3)20-17(21-13(16)4)14-6-8-15(18)9-7-14/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine?
2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine has a molecular weight of 303.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62755656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).