5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

C14H16ClN3O — CID 15916528

IUPAC5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc(C)c2Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(11-4-6-12(19-3)7-5-11)18-14-13(15)10(2)16-8-17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHBIBFAIVVXJHQL-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 15916528) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID15916528
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(C(C)Nc2ncnc(C)c2Cl)cc1
InChIInChI=1S/C14H16ClN3O/c1-9(11-4-6-12(19-3)7-5-11)18-14-13(15)10(2)16-8-17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHBIBFAIVVXJHQL-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-[4-(difluoromethylsulfanyl)phenyl]ethyl]-6-methylpyrimidin-4-amine
CID 54509093
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-5-nitropyrimidin-4-amine
CID 66196435
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-amine
CID 39893090
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
N-[1-(4-methoxyphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686565
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483339
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (CID 15916528) is 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is COc1ccc(C(C)Nc2ncnc(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is HBIBFAIVVXJHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(11-4-6-12(19-3)7-5-11)18-14-13(15)10(2)16-8-17-14/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 15916528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).