6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine

C16H20ClN3 — CID 15916585

IUPAC6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccccc1C
InChIInChI=1S/C16H20ClN3/c1-4-7-14-15(17)18-10-19-16(14)20-12(3)13-9-6-5-8-11(13)2/h5-6,8-10,12H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyWFVNYAQBXLKFJC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.56
Rot. Bonds5

About 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine

6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine (PubChem CID 15916585) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
PubChem CID15916585
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)c1ccccc1C
InChIInChI=1S/C16H20ClN3/c1-4-7-14-15(17)18-10-19-16(14)20-12(3)13-9-6-5-8-11(13)2/h5-6,8-10,12H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyWFVNYAQBXLKFJC-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63729819
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 63729127
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63730152
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
CID 63729469

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine (CID 15916585) is 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)c1ccccc1C.
What is the InChIKey of 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is WFVNYAQBXLKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-7-14-15(17)18-10-19-16(14)20-12(3)13-9-6-5-8-11(13)2/h5-6,8-10,12H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 15916585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).