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

C14H14Cl3N3 — CID 104727823

IUPAC6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H14Cl3N3/c1-3-4-9-13(17)18-7-19-14(9)20-12-6-10(15)8(2)5-11(12)16/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyGWBZEVHSAZDWOP-UHFFFAOYSA-N
MW330.65 g/mol
LogP5.44
Rot. Bonds4

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

6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine (PubChem CID 104727823) has the molecular formula C14H14Cl3N3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
PubChem CID104727823
Molecular FormulaC14H14Cl3N3
Molecular Weight330.65 g/mol
Exact Mass329.03
IUPAC Name6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H14Cl3N3/c1-3-4-9-13(17)18-7-19-14(9)20-12-6-10(15)8(2)5-11(12)16/h5-7H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyGWBZEVHSAZDWOP-UHFFFAOYSA-N
XLogP5.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.65
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63734216
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine (CID 104727823) is 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is GWBZEVHSAZDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3/c1-3-4-9-13(17)18-7-19-14(9)20-12-6-10(15)8(2)5-11(12)16/h5-7H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 330.65 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 104727823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).