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

C15H20N4O — CID 80851098

IUPAC5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H20N4O/c1-4-13-14(16)17-9-18-15(13)19-10(2)11-5-7-12(20-3)8-6-11/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyXYXFEQILKHUOOW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds5

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

5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80851098) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80851098
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H20N4O/c1-4-13-14(16)17-9-18-15(13)19-10(2)11-5-7-12(20-3)8-6-11/h5-10H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyXYXFEQILKHUOOW-UHFFFAOYSA-N
XLogP2.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 80924266
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
4-N-[1-(4-bromophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80801411
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 62048196
4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
CID 82949631
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66327874
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (CID 80851098) is 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NC(C)c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is XYXFEQILKHUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-13-14(16)17-9-18-15(13)19-10(2)11-5-7-12(20-3)8-6-11/h5-10H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80851098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).