6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine

C15H19ClN4O — CID 82459180

IUPAC6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NC(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-12-19-14(16)13(17)15(20-12)18-9(2)10-5-7-11(21-3)8-6-10/h5-9H,4,17H2,1-3H3,(H,18,19,20)
InChIKeyQDMDIQCHOWVCAF-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.46
Rot. Bonds5

About 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine

6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine (PubChem CID 82459180) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
PubChem CID82459180
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NC(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-12-19-14(16)13(17)15(20-12)18-9(2)10-5-7-11(21-3)8-6-10/h5-9H,4,17H2,1-3H3,(H,18,19,20)
InChIKeyQDMDIQCHOWVCAF-UHFFFAOYSA-N
XLogP3.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
2-ethyl-4-N-(1-phenylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455686
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82459412
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
6-chloro-2-ethyl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 82458941
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine (CID 82459180) is 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine is CCc1nc(Cl)c(N)c(NC(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is QDMDIQCHOWVCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-12-19-14(16)13(17)15(20-12)18-9(2)10-5-7-11(21-3)8-6-10/h5-9H,4,17H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine?
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 306.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 82459180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).