4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine

C7H13N5 — CID 80769889

IUPAC4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C7H13N5/c1-3-10-6-4-5(9-2)11-7(8)12-6/h4H,3H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyJBSDPADHVSYNSM-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.53
Rot. Bonds3

About 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine

4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80769889) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80769889
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C7H13N5/c1-3-10-6-4-5(9-2)11-7(8)12-6/h4H,3H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyJBSDPADHVSYNSM-UHFFFAOYSA-N
XLogP0.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-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

6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine (CID 80769889) is 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine is CCNc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is JBSDPADHVSYNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-10-6-4-5(9-2)11-7(8)12-6/h4H,3H2,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine?
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 167.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80769889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).