6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine

C13H17N5 — CID 80767341

IUPAC6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)c2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-3-15-11-9-12(17-13(14)16-11)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyXQZVIRRZUXYKOQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds4

About 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine

6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 80767341) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
PubChem CID80767341
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)c2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-3-15-11-9-12(17-13(14)16-11)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyXQZVIRRZUXYKOQ-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80823397
6-N-ethyl-4-N-methyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956228
2-N-ethyl-6-N-methyl-6-N-phenylpyridine-2,6-diamine
CID 80767103
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 80767422
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine (CID 80767341) is 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine is CCNc1cc(N(C)c2ccccc2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is XQZVIRRZUXYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-15-11-9-12(17-13(14)16-11)18(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 4 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-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80767341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).