6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine

C14H19N5O — CID 80763447

IUPAC6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2cc(C)ccc2OC)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-4-16-12-8-13(19-14(15)18-12)17-10-7-9(2)5-6-11(10)20-3/h5-8H,4H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyJVDVICVTNJLEGD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.55
Rot. Bonds5

About 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 80763447) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
PubChem CID80763447
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2cc(C)ccc2OC)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-4-16-12-8-13(19-14(15)18-12)17-10-7-9(2)5-6-11(10)20-3/h5-8H,4H2,1-3H3,(H4,15,16,17,18,19)
InChIKeyJVDVICVTNJLEGD-UHFFFAOYSA-N
XLogP2.55
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine (CID 80763447) is 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine is CCNc1cc(Nc2cc(C)ccc2OC)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is JVDVICVTNJLEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-16-12-8-13(19-14(15)18-12)17-10-7-9(2)5-6-11(10)20-3/h5-8H,4H2,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 273.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80763447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).