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

C15H21N5 — CID 80794370

IUPAC6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)Cc2ccccc2C)nc(N)n1
InChIInChI=1S/C15H21N5/c1-4-17-13-9-14(19-15(16)18-13)20(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10H2,1-3H3,(H3,16,17,18,19)
InChIKeyXCFUTWCCYCQTCV-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.44
Rot. Bonds5

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

6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80794370) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80794370
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)Cc2ccccc2C)nc(N)n1
InChIInChI=1S/C15H21N5/c1-4-17-13-9-14(19-15(16)18-13)20(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10H2,1-3H3,(H3,16,17,18,19)
InChIKeyXCFUTWCCYCQTCV-UHFFFAOYSA-N
XLogP2.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80795367
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrazin-2-amine
CID 80899395

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine (CID 80794370) is 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine is CCNc1cc(N(C)Cc2ccccc2C)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is XCFUTWCCYCQTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-17-13-9-14(19-15(16)18-13)20(3)10-12-8-6-5-7-11(12)2/h5-9H,4,10H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 271.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80794370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).