6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine

C15H18ClN3 — CID 63735620

IUPAC6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(CC)cc1
InChIInChI=1S/C15H18ClN3/c1-3-5-13-14(16)17-10-18-15(13)19-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVFEYNYUJLZNNLU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.39
Rot. Bonds5

About 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine

6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine (PubChem CID 63735620) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
PubChem CID63735620
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccc(CC)cc1
InChIInChI=1S/C15H18ClN3/c1-3-5-13-14(16)17-10-18-15(13)19-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVFEYNYUJLZNNLU-UHFFFAOYSA-N
XLogP4.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 63728931
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
N-(3-bromo-5-methylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 107576956
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine (CID 63735620) is 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccc(CC)cc1.
What is the InChIKey of 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is VFEYNYUJLZNNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-5-13-14(16)17-10-18-15(13)19-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63735620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).