2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile

C10H13N3O2 — CID 107546099

IUPAC2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
SMILESCCOCC(C)Oc1nccc(C#N)n1
InChIInChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-12-5-4-9(6-11)13-10/h4-5,8H,3,7H2,1-2H3
InChIKeyXNULNGYOSWHYRL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.15
Rot. Bonds5

About 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile

2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile (PubChem CID 107546099) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
PubChem CID107546099
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
SMILESCCOCC(C)Oc1nccc(C#N)n1
InChIInChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-12-5-4-9(6-11)13-10/h4-5,8H,3,7H2,1-2H3
InChIKeyXNULNGYOSWHYRL-UHFFFAOYSA-N
XLogP1.15
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
CID 103488112
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553088
5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine
CID 103489533
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
4-(1-ethoxypropan-2-yloxy)-2-fluoropyridine
CID 103488079
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile (CID 107546099) is 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile is CCOCC(C)Oc1nccc(C#N)n1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile?
The InChIKey is XNULNGYOSWHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-14-7-8(2)15-10-12-5-4-9(6-11)13-10/h4-5,8H,3,7H2,1-2H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile?
2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107546099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).