4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine

C12H15ClN2O — CID 106794814

IUPAC4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
SMILESC#CC(C)Oc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C12H15ClN2O/c1-5-7-10-14-11(13)9(4)12(15-10)16-8(3)6-2/h2,8H,5,7H2,1,3-4H3
InChIKeyJZHYLTZVXQYGJW-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.79
Rot. Bonds4

About 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine

4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine (PubChem CID 106794814) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
PubChem CID106794814
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
SMILESC#CC(C)Oc1nc(CCC)nc(Cl)c1C
InChIInChI=1S/C12H15ClN2O/c1-5-7-10-14-11(13)9(4)12(15-10)16-8(3)6-2/h2,8H,5,7H2,1,3-4H3
InChIKeyJZHYLTZVXQYGJW-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.79
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

6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
(6-but-3-yn-2-yloxy-2-ethyl-5-methylpyrimidin-4-yl)hydrazine
CID 106795704
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine (CID 106794814) is 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine is C#CC(C)Oc1nc(CCC)nc(Cl)c1C.
What is the InChIKey of 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine?
The InChIKey is JZHYLTZVXQYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-5-7-10-14-11(13)9(4)12(15-10)16-8(3)6-2/h2,8H,5,7H2,1,3-4H3.
What are the key properties of 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine?
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine has a molecular weight of 238.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 106794814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).