3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile

C9H11FN4 — CID 115749937

IUPAC3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncc(F)cn1
InChIInChI=1S/C9H11FN4/c1-7(3-11)6-14(2)9-12-4-8(10)5-13-9/h4-5,7H,6H2,1-2H3
InChIKeyWEPREQJSNARUHG-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.21
Rot. Bonds3

About 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile

3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 115749937) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
PubChem CID115749937
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncc(F)cn1
InChIInChI=1S/C9H11FN4/c1-7(3-11)6-14(2)9-12-4-8(10)5-13-9/h4-5,7H,6H2,1-2H3
InChIKeyWEPREQJSNARUHG-UHFFFAOYSA-N
XLogP1.21
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 79557173
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 112675422
3-[(5-fluoropyrimidin-2-yl)-methylamino]butanenitrile
CID 115750231
3-[(4-amino-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 130532582
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 112675420
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
3-(2,6-difluoro-4-formyl-N-methylanilino)-2-methylpropanenitrile
CID 63050878
2-amino-N-(2-cyanopropyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034956
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
3-[4-(dimethylamino)-N-methylanilino]-2-methylpropanenitrile
CID 82113965

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile (CID 115749937) is 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)c1ncc(F)cn1.
What is the InChIKey of 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is WEPREQJSNARUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-7(3-11)6-14(2)9-12-4-8(10)5-13-9/h4-5,7H,6H2,1-2H3.
What are the key properties of 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile?
3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 194.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115749937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).