ethane;2-methyl-5-prop-1-ynylpyrimidine

C10H14N2 — CID 123628207

IUPACethane;2-methyl-5-prop-1-ynylpyrimidine
SMILESCC.CC#Cc1cnc(C)nc1
InChIInChI=1S/C8H8N2.C2H6/c1-3-4-8-5-9-7(2)10-6-8;1-2/h5-6H,1-2H3;1-2H3
InChIKeyODXIBOUKTWGQKZ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.18
Rot. Bonds

About ethane;2-methyl-5-prop-1-ynylpyrimidine

ethane;2-methyl-5-prop-1-ynylpyrimidine (PubChem CID 123628207) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is ethane;2-methyl-5-prop-1-ynylpyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-5-prop-1-ynylpyrimidine
PubChem CID123628207
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Nameethane;2-methyl-5-prop-1-ynylpyrimidine
SMILESCC.CC#Cc1cnc(C)nc1
InChIInChI=1S/C8H8N2.C2H6/c1-3-4-8-5-9-7(2)10-6-8;1-2/h5-6H,1-2H3;1-2H3
InChIKeyODXIBOUKTWGQKZ-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-prop-1-ynylpyridine
CID 15373699
2-methyl-5-(3-methylbut-1-ynyl)pyrimidine
CID 135273972
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
2-prop-1-ynylpyrimidine-5-carbonitrile
CID 126693035
2,6-dimethyl-4-prop-1-ynylpyridine
CID 135268450
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
methane;1-methyl-4-prop-1-ynylbenzene
CID 143373241
2,5-dimethylpyrimidine;methanamine
CID 161178837
(2-methylpyrimidin-5-yl)chloranium
CID 142184118
5-bromo-2-methylpyrimidine
CID 14387744
N-[(2-methylpyrimidin-5-yl)methyl]but-2-yn-1-amine
CID 130702361
2-(2-methylpyrimidin-5-yl)propan-2-amine
CID 82417261

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-prop-1-ynylpyrimidine?
The IUPAC name of ethane;2-methyl-5-prop-1-ynylpyrimidine (CID 123628207) is ethane;2-methyl-5-prop-1-ynylpyrimidine.
What is the SMILES notation for ethane;2-methyl-5-prop-1-ynylpyrimidine?
The canonical SMILES for ethane;2-methyl-5-prop-1-ynylpyrimidine is CC.CC#Cc1cnc(C)nc1.
What is the InChIKey of ethane;2-methyl-5-prop-1-ynylpyrimidine?
The InChIKey is ODXIBOUKTWGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-3-4-8-5-9-7(2)10-6-8;1-2/h5-6H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-prop-1-ynylpyrimidine?
ethane;2-methyl-5-prop-1-ynylpyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-prop-1-ynylpyrimidine is sourced from PubChem (CID 123628207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).