3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile

C13H21N5 — CID 80811463

IUPAC3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
SMILESCCNc1nc(C)cc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C13H21N5/c1-5-15-13-16-11(4)9-12(17-13)18(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyPSLGMMSNXDAUIB-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.35
Rot. Bonds6

About 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile

3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile (PubChem CID 80811463) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
PubChem CID80811463
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
SMILESCCNc1nc(C)cc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C13H21N5/c1-5-15-13-16-11(4)9-12(17-13)18(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyPSLGMMSNXDAUIB-UHFFFAOYSA-N
XLogP2.35
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 80810300
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 114564612
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808333
3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80806847
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916985
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80852105
3-[(2-amino-6-chloropyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80735514
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829150

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile (CID 80811463) is 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile is CCNc1nc(C)cc(N(CCC#N)C(C)C)n1.
What is the InChIKey of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile?
The InChIKey is PSLGMMSNXDAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-15-13-16-11(4)9-12(17-13)18(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile?
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile has a molecular weight of 247.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80811463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).