3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile

C10H14N4 — CID 116975684

IUPAC3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile
SMILESCC(C)c1cnc(NCCC#N)nc1
InChIInChI=1S/C10H14N4/c1-8(2)9-6-13-10(14-7-9)12-5-3-4-11/h6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyLBUFYNYKJTZVHV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.93
Rot. Bonds4

About 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile

3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile (PubChem CID 116975684) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile
PubChem CID116975684
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile
SMILESCC(C)c1cnc(NCCC#N)nc1
InChIInChI=1S/C10H14N4/c1-8(2)9-6-13-10(14-7-9)12-5-3-4-11/h6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyLBUFYNYKJTZVHV-UHFFFAOYSA-N
XLogP1.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974441
3-(pyrimidin-2-ylamino)propanenitrile
CID 131130388
2-(5-propan-2-ylpyrimidin-2-yl)acetonitrile
CID 166553342
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
3-[[5-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]amino]propanenitrile
CID 116975700
N-(5-propan-2-ylpyrimidin-2-yl)formamide
CID 130210238
N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116975975
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N-[4-(oxolan-2-yl)butyl]-5-propan-2-ylpyrimidin-2-amine
CID 131907958
1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
CID 140896989
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanenitrile
CID 21443697
N-(5-propan-2-ylpyrimidin-2-yl)acetamide
CID 58015222

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile (CID 116975684) is 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile is CC(C)c1cnc(NCCC#N)nc1.
What is the InChIKey of 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile?
The InChIKey is LBUFYNYKJTZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)9-6-13-10(14-7-9)12-5-3-4-11/h6-8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile?
3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-ylpyrimidin-2-yl)amino]propanenitrile is sourced from PubChem (CID 116975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).