3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile

C11H17N5 — CID 80806847

IUPAC3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCCN(CCC#N)c1cc(C)nc(NC)n1
InChIInChI=1S/C11H17N5/c1-4-16(7-5-6-12)10-8-9(2)14-11(13-3)15-10/h8H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyRBOAWHVJOLCITG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.57
Rot. Bonds5

About 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile

3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile (PubChem CID 80806847) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
PubChem CID80806847
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCCN(CCC#N)c1cc(C)nc(NC)n1
InChIInChI=1S/C11H17N5/c1-4-16(7-5-6-12)10-8-9(2)14-11(13-3)15-10/h8H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyRBOAWHVJOLCITG-UHFFFAOYSA-N
XLogP1.57
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-cyanoethyl(ethyl)amino]-6-methylpyrimidine-2-carboxylate
CID 66285395
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829150
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916985
3-[ethyl-(5-methylpyridazin-3-yl)amino]propanenitrile
CID 106549278
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80811463
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
2-[ethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790816
2-N,4-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80764020
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile (CID 80806847) is 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile is CCN(CCC#N)c1cc(C)nc(NC)n1.
What is the InChIKey of 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is RBOAWHVJOLCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-16(7-5-6-12)10-8-9(2)14-11(13-3)15-10/h8H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile?
3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 80806847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).