4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine

C7H13N5 — CID 21059252

IUPAC4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
SMILESCNc1nc(C)nc(NC)c1N
InChIInChI=1S/C7H13N5/c1-4-11-6(9-2)5(8)7(10-3)12-4/h8H2,1-3H3,(H2,9,10,11,12)
InChIKeyNCBUQXBVXVADEP-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.45
Rot. Bonds2

About 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine

4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine (PubChem CID 21059252) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
PubChem CID21059252
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
SMILESCNc1nc(C)nc(NC)c1N
InChIInChI=1S/C7H13N5/c1-4-11-6(9-2)5(8)7(10-3)12-4/h8H2,1-3H3,(H2,9,10,11,12)
InChIKeyNCBUQXBVXVADEP-UHFFFAOYSA-N
XLogP0.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tetra-Aminopyrimidine
CID 70487
4,5,6-Pyrimidinetriamine
CID 67049
5-Amino-4-(isobutylamino)-6-(piperazin-1-yl)pyrimidine-2-carbonitrile
CID 25256833
N-(2,4,6-triaminopyrimidin-5-yl)formamide
CID 315379
2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
CID 7147190
6-chloro-4-N-ethylpyrimidine-4,5-diamine
CID 351002
Pyrimidine, 2,4,5,6-tetraamine, dihydrochloride
CID 12365029
6,7,7-Trimethyl-7,8-dihydropteridine-2,4-diamine
CID 45485275
Pteridine, 2,4-diamino-5,6,7,8-tetrahydro-
CID 44353744
4,6-Diamino-5-guanidinopyrimidine
CID 130011
4,6-dichloro-N-(imidazolidin-2-ylidene)-2-methylpyrimidin-5-amine
CID 87373396
AG-G-94064
CID 10702521

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine (CID 21059252) is 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine is CNc1nc(C)nc(NC)c1N.
What is the InChIKey of 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine?
The InChIKey is NCBUQXBVXVADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-4-11-6(9-2)5(8)7(10-3)12-4/h8H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine?
4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine has a molecular weight of 167.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 21059252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).