2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile

C10H13N3 — CID 83857554

IUPAC2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile
SMILESCC(C)c1nccc(C(C)C#N)n1
InChIInChI=1S/C10H13N3/c1-7(2)10-12-5-4-9(13-10)8(3)6-11/h4-5,7-8H,1-3H3
InChIKeyMJLPZZXWXCEQFR-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.23
Rot. Bonds2

About 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile

2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile (PubChem CID 83857554) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile
PubChem CID83857554
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile
SMILESCC(C)c1nccc(C(C)C#N)n1
InChIInChI=1S/C10H13N3/c1-7(2)10-12-5-4-9(13-10)8(3)6-11/h4-5,7-8H,1-3H3
InChIKeyMJLPZZXWXCEQFR-UHFFFAOYSA-N
XLogP2.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpyrimidin-4-yl)propanenitrile
CID 83845483
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
CID 174069599
CID 174069599
3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
4-isocyano-2-propan-2-ylpyrimidine
CID 84649154
N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 130621650
2-propan-2-yl-4-propylpyrimidine
CID 58111235
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
2-(1,3-oxazol-2-yl)propanenitrile
CID 119087354
2,4-bis(difluoromethyl)pyrimidine
CID 68586221
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile?
The IUPAC name of 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile (CID 83857554) is 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile.
What is the SMILES notation for 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile?
The canonical SMILES for 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile is CC(C)c1nccc(C(C)C#N)n1.
What is the InChIKey of 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile?
The InChIKey is MJLPZZXWXCEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(2)10-12-5-4-9(13-10)8(3)6-11/h4-5,7-8H,1-3H3.
What are the key properties of 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile?
2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile is sourced from PubChem (CID 83857554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).