2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile

C9H11N3O — CID 112639154

IUPAC2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
SMILESCC(C)Oc1ccnc(CC#N)n1
InChIInChI=1S/C9H11N3O/c1-7(2)13-9-4-6-11-8(12-9)3-5-10/h4,6-7H,3H2,1-2H3
InChIKeyMFDCFINVMHSWLM-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile

2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile (PubChem CID 112639154) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
PubChem CID112639154
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile
SMILESCC(C)Oc1ccnc(CC#N)n1
InChIInChI=1S/C9H11N3O/c1-7(2)13-9-4-6-11-8(12-9)3-5-10/h4,6-7H,3H2,1-2H3
InChIKeyMFDCFINVMHSWLM-UHFFFAOYSA-N
XLogP1.33
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-2-(thiophen-2-ylsulfanylmethyl)pyrimidine
CID 57049235
2-(6-propan-2-yloxypyrimidin-4-yl)acetonitrile
CID 66331626
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900942
N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 112636280
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
methoxymethane;4-propan-2-yloxypyrimidine-2-carbaldehyde
CID 142960710
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900946
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile?
The IUPAC name of 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile (CID 112639154) is 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile is CC(C)Oc1ccnc(CC#N)n1.
What is the InChIKey of 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile?
The InChIKey is MFDCFINVMHSWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(2)13-9-4-6-11-8(12-9)3-5-10/h4,6-7H,3H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile?
2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile has a molecular weight of 177.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxypyrimidin-2-yl)acetonitrile is sourced from PubChem (CID 112639154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).