2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine

C9H16N4 — CID 58324899

IUPAC2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C9H16N4/c1-7-6-10-9(13(4)5)11-8(7)12(2)3/h6H,1-5H3
InChIKeyLXTPSUCTQOHELW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.92
Rot. Bonds2

About 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine

2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine (PubChem CID 58324899) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine
PubChem CID58324899
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C9H16N4/c1-7-6-10-9(13(4)5)11-8(7)12(2)3/h6H,1-5H3
InChIKeyLXTPSUCTQOHELW-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine (CID 58324899) is 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine is Cc1cnc(N(C)C)nc1N(C)C.
What is the InChIKey of 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine?
The InChIKey is LXTPSUCTQOHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-6-10-9(13(4)5)11-8(7)12(2)3/h6H,1-5H3.
What are the key properties of 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine?
2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,5-pentamethylpyrimidine-2,4-diamine is sourced from PubChem (CID 58324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).