3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile

C14H23N5 — CID 80811510

IUPAC3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
SMILESCCCNc1nc(C)nc(N(C)CC(C)C#N)c1C
InChIInChI=1S/C14H23N5/c1-6-7-16-13-11(3)14(18-12(4)17-13)19(5)9-10(2)8-15/h10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyQGMLUPIFBGAWDK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds6

About 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile

3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile (PubChem CID 80811510) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
PubChem CID80811510
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
SMILESCCCNc1nc(C)nc(N(C)CC(C)C#N)c1C
InChIInChI=1S/C14H23N5/c1-6-7-16-13-11(3)14(18-12(4)17-13)19(5)9-10(2)8-15/h10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyQGMLUPIFBGAWDK-UHFFFAOYSA-N
XLogP2.51
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
4-N-(3,3-dimethylbutan-2-yl)-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80815574
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
2-methyl-3-[methyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810448
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80983288

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile (CID 80811510) is 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile is CCCNc1nc(C)nc(N(C)CC(C)C#N)c1C.
What is the InChIKey of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
The InChIKey is QGMLUPIFBGAWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-6-7-16-13-11(3)14(18-12(4)17-13)19(5)9-10(2)8-15/h10H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile?
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80811510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).