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

C10H14N4 — CID 61234578

IUPAC3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCCc1cc(N(C)CCC#N)ncn1
InChIInChI=1S/C10H14N4/c1-3-9-7-10(13-8-12-9)14(2)6-4-5-11/h7-8H,3-4,6H2,1-2H3
InChIKeyRUCGGQRMOROARX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.39
Rot. Bonds4

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

3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile (PubChem CID 61234578) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
PubChem CID61234578
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile
SMILESCCc1cc(N(C)CCC#N)ncn1
InChIInChI=1S/C10H14N4/c1-3-9-7-10(13-8-12-9)14(2)6-4-5-11/h7-8H,3-4,6H2,1-2H3
InChIKeyRUCGGQRMOROARX-UHFFFAOYSA-N
XLogP1.39
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
CID 61239560
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 126848090
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
3-[methyl-(6-thiophen-2-ylpyrimidin-4-yl)amino]propanenitrile
CID 126848884
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
N-(azetidin-3-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66183125
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 83830823
N-[(5-amino-2-chlorophenyl)methyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 61240321
1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
CID 113285625
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile (CID 61234578) is 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile is CCc1cc(N(C)CCC#N)ncn1.
What is the InChIKey of 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile?
The InChIKey is RUCGGQRMOROARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-9-7-10(13-8-12-9)14(2)6-4-5-11/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile?
3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 61234578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).