1-prop-2-ynylpyrimidin-2-imine

C7H7N3 — CID 51350198

IUPAC1-prop-2-ynylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CC#C
InChIInChI=1S/C7H7N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6,8H,5H2/b8-7+
InChIKeyVAYNELPXGBTUQB-BQYQJAHWSA-N
MW133.15 g/mol
LogP-0.00
Rot. Bonds1

About 1-prop-2-ynylpyrimidin-2-imine

1-prop-2-ynylpyrimidin-2-imine (PubChem CID 51350198) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-prop-2-ynylpyrimidin-2-imine.

Molecular Properties

Compound Name1-prop-2-ynylpyrimidin-2-imine
PubChem CID51350198
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1-prop-2-ynylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CC#C
InChIInChI=1S/C7H7N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6,8H,5H2/b8-7+
InChIKeyVAYNELPXGBTUQB-BQYQJAHWSA-N
XLogP-0.00
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Imino-1-methyl-1,2-dihydro-pyrimidine
CID 417750
Pyrimidine, 1-ethyl-1,2-dihydro-2-imino-
CID 119098027
Pyrimidine, 1,2-dihydro-2-imino-1-propyl-
CID 163661769
Pyrimidine, 1-allyl-1,2-dihydro-2-imino-
CID 129348178
Pyrimidine-3-carboxamidine
CID 129792498
1-Ethenylpyrimidin-2-imine
CID 89470074
1-[(Z)-prop-1-enyl]pyrimidin-2-imine
CID 89843154
2H-pyrimidin-1-ylmethanimine
CID 141666379
1-(2-Iminopyrimidin-1-yl)ethenamine
CID 146389139
1-prop-2-ynyl-2H-pyrimidin-2-amine
CID 150625412
(2-Methylidenepyrimidin-1-yl)methanimine
CID 170198433
1-Ethylpyrimidin-2-imine;hydroiodide
CID 133634221

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpyrimidin-2-imine?
The IUPAC name of 1-prop-2-ynylpyrimidin-2-imine (CID 51350198) is 1-prop-2-ynylpyrimidin-2-imine.
What is the SMILES notation for 1-prop-2-ynylpyrimidin-2-imine?
The canonical SMILES for 1-prop-2-ynylpyrimidin-2-imine is [H]/N=c1\ncccn1CC#C.
What is the InChIKey of 1-prop-2-ynylpyrimidin-2-imine?
The InChIKey is VAYNELPXGBTUQB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-5-10-6-3-4-9-7(10)8/h1,3-4,6,8H,5H2/b8-7+.
What are the key properties of 1-prop-2-ynylpyrimidin-2-imine?
1-prop-2-ynylpyrimidin-2-imine has a molecular weight of 133.15 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpyrimidin-2-imine is sourced from PubChem (CID 51350198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).