2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile

C10H14N4O — CID 107553105

IUPAC2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
SMILESCC(C)NCCOc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-8(2)12-5-6-15-10-13-4-3-9(7-11)14-10/h3-4,8,12H,5-6H2,1-2H3
InChIKeyIYOOLOJZHFGDQN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile

2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile (PubChem CID 107553105) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
PubChem CID107553105
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
SMILESCC(C)NCCOc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-8(2)12-5-6-15-10-13-4-3-9(7-11)14-10/h3-4,8,12H,5-6H2,1-2H3
InChIKeyIYOOLOJZHFGDQN-UHFFFAOYSA-N
XLogP0.73
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553088
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
2-[3-(benzylamino)propoxy]pyrimidine-4-carbonitrile
CID 107553157
2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
3-(4-methoxypyrimidin-2-yl)oxy-N-propan-2-ylpropan-1-amine
CID 62348019
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile (CID 107553105) is 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile is CC(C)NCCOc1nccc(C#N)n1.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile?
The InChIKey is IYOOLOJZHFGDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(2)12-5-6-15-10-13-4-3-9(7-11)14-10/h3-4,8,12H,5-6H2,1-2H3.
What are the key properties of 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile?
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).