6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine

C16H20ClN3 — CID 115504238

IUPAC6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-c2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C16H20ClN3/c1-5-8-18-16-11(3)15(19-12(4)20-16)13-7-6-10(2)14(17)9-13/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyUDJVLLONHPLGBG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.54
Rot. Bonds4

About 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 115504238) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID115504238
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-c2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C16H20ClN3/c1-5-8-18-16-11(3)15(19-12(4)20-16)13-7-6-10(2)14(17)9-13/h6-7,9H,5,8H2,1-4H3,(H,18,19,20)
InChIKeyUDJVLLONHPLGBG-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 115504238) is 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(-c2ccc(C)c(Cl)c2)c1C.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is UDJVLLONHPLGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-8-18-16-11(3)15(19-12(4)20-16)13-7-6-10(2)14(17)9-13/h6-7,9H,5,8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115504238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).