3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile

C11H14N4 — CID 133370479

IUPAC3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1ccnc(C2CC2)n1
InChIInChI=1S/C11H14N4/c1-15(8-2-6-12)10-5-7-13-11(14-10)9-3-4-9/h5,7,9H,2-4,8H2,1H3
InChIKeyREXKJSMZUJDOJZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.70
Rot. Bonds4

About 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile

3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile (PubChem CID 133370479) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
PubChem CID133370479
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1ccnc(C2CC2)n1
InChIInChI=1S/C11H14N4/c1-15(8-2-6-12)10-5-7-13-11(14-10)9-3-4-9/h5,7,9H,2-4,8H2,1H3
InChIKeyREXKJSMZUJDOJZ-UHFFFAOYSA-N
XLogP1.70
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-N-methylpyrimidin-4-amine
CID 66911129
2-cyclopropyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413055
N-(cyclopentylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 133304236
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 126848090
2-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 133304164
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80973034
2-cyclopropyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129338507
3-[(5-cyclobutylpyrimidin-2-yl)-methylamino]propanenitrile
CID 116978010
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80954108
N-(2-bromophenyl)-2-[(2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 99806560
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80964347

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile (CID 133370479) is 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile is CN(CCC#N)c1ccnc(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The InChIKey is REXKJSMZUJDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15(8-2-6-12)10-5-7-13-11(14-10)9-3-4-9/h5,7,9H,2-4,8H2,1H3.
What are the key properties of 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile has a molecular weight of 202.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 133370479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).