3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

C12H17N5 — CID 80811362

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCCc1c(N)ncnc1N(CCC#N)C1CC1
InChIInChI=1S/C12H17N5/c1-2-10-11(14)15-8-16-12(10)17(7-3-6-13)9-4-5-9/h8-9H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyBTNORTOOEWPNPH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds5

About 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 80811362) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID80811362
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCCc1c(N)ncnc1N(CCC#N)C1CC1
InChIInChI=1S/C12H17N5/c1-2-10-11(14)15-8-16-12(10)17(7-3-6-13)9-4-5-9/h8-9H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyBTNORTOOEWPNPH-UHFFFAOYSA-N
XLogP1.50
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 63728481
3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80809861
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 82817619
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80983361
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (CID 80811362) is 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is CCc1c(N)ncnc1N(CCC#N)C1CC1.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is BTNORTOOEWPNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10-11(14)15-8-16-12(10)17(7-3-6-13)9-4-5-9/h8-9H,2-5,7H2,1H3,(H2,14,15,16).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 231.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 80811362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).