acetylene;N,1,6-trimethylpyrimidin-2-imine

C9H13N3 — CID 142889505

IUPACacetylene;N,1,6-trimethylpyrimidin-2-imine
SMILESC#C.C/N=c1\nccc(C)n1C
InChIInChI=1S/C7H11N3.C2H2/c1-6-4-5-9-7(8-2)10(6)3;1-2/h4-5H,1-3H3;1-2H/b8-7+;
InChIKeyCACLJYPRROGAPQ-USRGLUTNSA-N
MW163.22 g/mol
LogP0.51
Rot. Bonds

About acetylene;N,1,6-trimethylpyrimidin-2-imine

acetylene;N,1,6-trimethylpyrimidin-2-imine (PubChem CID 142889505) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is acetylene;N,1,6-trimethylpyrimidin-2-imine.

Molecular Properties

Compound Nameacetylene;N,1,6-trimethylpyrimidin-2-imine
PubChem CID142889505
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameacetylene;N,1,6-trimethylpyrimidin-2-imine
SMILESC#C.C/N=c1\nccc(C)n1C
InChIInChI=1S/C7H11N3.C2H2/c1-6-4-5-9-7(8-2)10(6)3;1-2/h4-5H,1-3H3;1-2H/b8-7+;
InChIKeyCACLJYPRROGAPQ-USRGLUTNSA-N
XLogP0.51
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 171383916
1-Ethyl-6-methyl-2-methylidenepyrimidine
CID 58719966
1,6-Dimethyl-2-methylidenepyrimidine;ethane
CID 91418894
(2E)-2-ethylidene-1,6-dimethylpyrimidine
CID 135253872
N,1,6-trimethylpyrimidin-2-imine
CID 135258657
1-ethyl-2,6-dimethyl-2H-pyrimidine
CID 151632523
1,2,2,6-Tetramethylpyrimidine
CID 174830081
ethane;1-ethenyl-N,6-dimethylpyrimidin-2-imine
CID 178051809
N-ethenyl-1-ethylpyrimidin-2-imine
CID 143234740
1-ethenyl-N,6-dimethylpyrimidin-2-imine
CID 178051810

Frequently Asked Questions

What is the IUPAC name of acetylene;N,1,6-trimethylpyrimidin-2-imine?
The IUPAC name of acetylene;N,1,6-trimethylpyrimidin-2-imine (CID 142889505) is acetylene;N,1,6-trimethylpyrimidin-2-imine.
What is the SMILES notation for acetylene;N,1,6-trimethylpyrimidin-2-imine?
The canonical SMILES for acetylene;N,1,6-trimethylpyrimidin-2-imine is C#C.C/N=c1\nccc(C)n1C.
What is the InChIKey of acetylene;N,1,6-trimethylpyrimidin-2-imine?
The InChIKey is CACLJYPRROGAPQ-USRGLUTNSA-N. The full InChI is InChI=1S/C7H11N3.C2H2/c1-6-4-5-9-7(8-2)10(6)3;1-2/h4-5H,1-3H3;1-2H/b8-7+;.
What are the key properties of acetylene;N,1,6-trimethylpyrimidin-2-imine?
acetylene;N,1,6-trimethylpyrimidin-2-imine has a molecular weight of 163.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N,1,6-trimethylpyrimidin-2-imine is sourced from PubChem (CID 142889505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).