3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile

C13H18N4O — CID 63286504

IUPAC3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncnc2c1CCC2
InChIInChI=1S/C13H18N4O/c1-18-9-8-17(7-3-6-14)13-11-4-2-5-12(11)15-10-16-13/h10H,2-5,7-9H2,1H3
InChIKeyMEOYQTVSEFBBTN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.33
Rot. Bonds6

About 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile

3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286504) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
PubChem CID63286504
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncnc2c1CCC2
InChIInChI=1S/C13H18N4O/c1-18-9-8-17(7-3-6-14)13-11-4-2-5-12(11)15-10-16-13/h10H,2-5,7-9H2,1H3
InChIKeyMEOYQTVSEFBBTN-UHFFFAOYSA-N
XLogP1.33
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]ethanol
CID 115672547
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63766436
N-(2-bromoethyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80672902
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957317
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
CID 62832633
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80673331

Frequently Asked Questions

What is the IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile (CID 63286504) is 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1ncnc2c1CCC2.
What is the InChIKey of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is MEOYQTVSEFBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-18-9-8-17(7-3-6-14)13-11-4-2-5-12(11)15-10-16-13/h10H,2-5,7-9H2,1H3.
What are the key properties of 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile?
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).