3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile

C11H14N4 — CID 126848090

IUPAC3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1cc(C2CC2)ncn1
InChIInChI=1S/C11H14N4/c1-15(6-2-5-12)11-7-10(9-3-4-9)13-8-14-11/h7-9H,2-4,6H2,1H3
InChIKeyDOUXQBNGOPSTSD-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.70
Rot. Bonds4

About 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile

3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile (PubChem CID 126848090) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
PubChem CID126848090
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1cc(C2CC2)ncn1
InChIInChI=1S/C11H14N4/c1-15(6-2-5-12)11-7-10(9-3-4-9)13-8-14-11/h7-9H,2-4,6H2,1H3
InChIKeyDOUXQBNGOPSTSD-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

3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 61234578
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
CID 61239560
(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 97113424
3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 133370479
2-[(6-cyclopropylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 126848087
3-[methyl-(6-thiophen-2-ylpyrimidin-4-yl)amino]propanenitrile
CID 126848884
N'-(6-cyclopropylpyrimidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 83837956
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
3-[(5-cyclobutylpyrimidin-2-yl)-methylamino]propanenitrile
CID 116978010
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile (CID 126848090) is 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile is CN(CCC#N)c1cc(C2CC2)ncn1.
What is the InChIKey of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
The InChIKey is DOUXQBNGOPSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15(6-2-5-12)11-7-10(9-3-4-9)13-8-14-11/h7-9H,2-4,6H2,1H3.
What are the key properties of 3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile?
3-[(6-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-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 126848090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).