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

CID 135271018
CID 135271018
CID 1481060
CID 1481060
CID 53192873
CID 53192873
CID 97404769
CID 97404769
CID 97404846
CID 97404846
CID 97516497
CID 97516497
CID 53192848
CID 53192848
CID 53192863
CID 53192863
CID 53192865
CID 53192865
CID 53192872
CID 53192872
CID 53192894
CID 53192894
CID 53192947
CID 53192947

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).