3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

C11H15N5 — CID 80809861

IUPAC3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCc1cnc(N)nc1N(CCC#N)C1CC1
InChIInChI=1S/C11H15N5/c1-8-7-14-11(13)15-10(8)16(6-2-5-12)9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyJGSRVPGPOGIUIE-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.25
Rot. Bonds4

About 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 80809861) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID80809861
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCc1cnc(N)nc1N(CCC#N)C1CC1
InChIInChI=1S/C11H15N5/c1-8-7-14-11(13)15-10(8)16(6-2-5-12)9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyJGSRVPGPOGIUIE-UHFFFAOYSA-N
XLogP1.25
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80753562
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 82817619
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80983361
3-[cyclopropyl-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]amino]propanenitrile
CID 103938579
3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile
CID 63271985
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80811319
methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058
3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
CID 80994835

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (CID 80809861) is 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is Cc1cnc(N)nc1N(CCC#N)C1CC1.
What is the InChIKey of 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is JGSRVPGPOGIUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-7-14-11(13)15-10(8)16(6-2-5-12)9-3-4-9/h7,9H,2-4,6H2,1H3,(H2,13,14,15).
What are the key properties of 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 217.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 80809861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).