4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine

C14H19N5O — CID 80851656

IUPAC4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NC(C)c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-9(10-4-6-11(20-3)7-5-10)17-13-8-12(16-2)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19)
InChIKeySSSBAIIUVOIUOK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds5

About 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine

4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80851656) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80851656
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NC(C)c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-9(10-4-6-11(20-3)7-5-10)17-13-8-12(16-2)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19)
InChIKeySSSBAIIUVOIUOK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrazin-2-amine
CID 80921639
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine (CID 80851656) is 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(NC(C)c2ccc(OC)cc2)nc(N)n1.
What is the InChIKey of 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is SSSBAIIUVOIUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(10-4-6-11(20-3)7-5-10)17-13-8-12(16-2)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 273.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).