4-pent-2-ynoxypyrimidine

C9H10N2O — CID 91219965

IUPAC4-pent-2-ynoxypyrimidine
SMILESCCC#CCOc1ccncn1
InChIInChI=1S/C9H10N2O/c1-2-3-4-7-12-9-5-6-10-8-11-9/h5-6,8H,2,7H2,1H3
InChIKeyXNBAHJMHQJZKJL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.27
Rot. Bonds2

About 4-pent-2-ynoxypyrimidine

4-pent-2-ynoxypyrimidine (PubChem CID 91219965) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-pent-2-ynoxypyrimidine.

Molecular Properties

Compound Name4-pent-2-ynoxypyrimidine
PubChem CID91219965
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-pent-2-ynoxypyrimidine
SMILESCCC#CCOc1ccncn1
InChIInChI=1S/C9H10N2O/c1-2-3-4-7-12-9-5-6-10-8-11-9/h5-6,8H,2,7H2,1H3
InChIKeyXNBAHJMHQJZKJL-UHFFFAOYSA-N
XLogP1.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.27
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

4-propoxypyrimidine
CID 23198177
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
N,N-dimethyl-3-(pyrimidin-4-yloxymethyl)pyridin-2-amine
CID 117061452
sodium;hydride;pyrimidin-4-yl acetate
CID 175470054
1-pent-2-ynoxy-4-phenylbenzene
CID 59780116
4-propylpyrimidine
CID 18996562
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
CID 165349057
4-pyridin-3-yloxypyrimidine
CID 54154490
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 100665905

Frequently Asked Questions

What is the IUPAC name of 4-pent-2-ynoxypyrimidine?
The IUPAC name of 4-pent-2-ynoxypyrimidine (CID 91219965) is 4-pent-2-ynoxypyrimidine.
What is the SMILES notation for 4-pent-2-ynoxypyrimidine?
The canonical SMILES for 4-pent-2-ynoxypyrimidine is CCC#CCOc1ccncn1.
What is the InChIKey of 4-pent-2-ynoxypyrimidine?
The InChIKey is XNBAHJMHQJZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-3-4-7-12-9-5-6-10-8-11-9/h5-6,8H,2,7H2,1H3.
What are the key properties of 4-pent-2-ynoxypyrimidine?
4-pent-2-ynoxypyrimidine has a molecular weight of 162.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-2-ynoxypyrimidine is sourced from PubChem (CID 91219965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).