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

C15H21N5O — CID 106262726

IUPAC6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCc2ccccc2OC)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-9-8-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyAQLGWCJWXZENJP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.15
Rot. Bonds7

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

6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 106262726) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID106262726
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCc2ccccc2OC)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-9-8-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyAQLGWCJWXZENJP-UHFFFAOYSA-N
XLogP2.15
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
CID 106262665
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874136
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262382

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine (CID 106262726) is 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCCc2ccccc2OC)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is AQLGWCJWXZENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-17-13-10-14(20-15(16)19-13)18-9-8-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 287.37 g/mol, XLogP of 2.15, 7 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-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 106262726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).