1,4,5,6-tetramethylpyrimidin-2-imine

C8H13N3 — CID 123409104

IUPAC1,4,5,6-tetramethylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(C)c(C)n1C
InChIInChI=1S/C8H13N3/c1-5-6(2)10-8(9)11(4)7(5)3/h9H,1-4H3/b9-8+
InChIKeyLJMGYNMJDMDOOJ-CMDGGOBGSA-N
MW151.21 g/mol
LogP0.82
Rot. Bonds

About 1,4,5,6-tetramethylpyrimidin-2-imine

1,4,5,6-tetramethylpyrimidin-2-imine (PubChem CID 123409104) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,4,5,6-tetramethylpyrimidin-2-imine.

Molecular Properties

Compound Name1,4,5,6-tetramethylpyrimidin-2-imine
PubChem CID123409104
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,4,5,6-tetramethylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(C)c(C)n1C
InChIInChI=1S/C8H13N3/c1-5-6(2)10-8(9)11(4)7(5)3/h9H,1-4H3/b9-8+
InChIKeyLJMGYNMJDMDOOJ-CMDGGOBGSA-N
XLogP0.82
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 1,2-dihydro-2-imino-1,4,6-trimethyl-5-(prop-2-ynyl)-
CID 171384078
Pyrimidine, 1,2-dihydro-2-imino-1,4,6-trimethyl-5-(prop-1-ynyl)-
CID 171384393
Pyrimidine, 1,2-dihydro-2-imino-1,4,6-trimethyl-5-propyl-
CID 171384506
Pyrimidine, 5-allyl-1,2-dihydro-2-imino-1,4,6-trimethyl-
CID 171384686
2-Imino-1,4,6-trimethylpyrimidine-5-carbonitrile
CID 86181023
1-Methanimidoyl-4,5,6-trimethylpyrimidin-2-imine
CID 178156631
1,4,5,6-tetramethyl-2H-pyrimidin-1-ium-2-ide
CID 20800963
5-Ethyl-1,4,6-trimethylpyrimidin-2-imine
CID 131859026

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethylpyrimidin-2-imine?
The IUPAC name of 1,4,5,6-tetramethylpyrimidin-2-imine (CID 123409104) is 1,4,5,6-tetramethylpyrimidin-2-imine.
What is the SMILES notation for 1,4,5,6-tetramethylpyrimidin-2-imine?
The canonical SMILES for 1,4,5,6-tetramethylpyrimidin-2-imine is [H]/N=c1\nc(C)c(C)c(C)n1C.
What is the InChIKey of 1,4,5,6-tetramethylpyrimidin-2-imine?
The InChIKey is LJMGYNMJDMDOOJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-6(2)10-8(9)11(4)7(5)3/h9H,1-4H3/b9-8+.
What are the key properties of 1,4,5,6-tetramethylpyrimidin-2-imine?
1,4,5,6-tetramethylpyrimidin-2-imine has a molecular weight of 151.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethylpyrimidin-2-imine is sourced from PubChem (CID 123409104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).