ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate

C16H25N3O2 — CID 69444644

IUPACethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
SMILESCCCN(CCC)c1nc(C(=O)OCC)nc2c1CCC2
InChIInChI=1S/C16H25N3O2/c1-4-10-19(11-5-2)15-12-8-7-9-13(12)17-14(18-15)16(20)21-6-3/h4-11H2,1-3H3
InChIKeySHROPHWDIUBNBS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.77
Rot. Bonds7

About ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate

ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate (PubChem CID 69444644) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
PubChem CID69444644
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nameethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate
SMILESCCCN(CCC)c1nc(C(=O)OCC)nc2c1CCC2
InChIInChI=1S/C16H25N3O2/c1-4-10-19(11-5-2)15-12-8-7-9-13(12)17-14(18-15)16(20)21-6-3/h4-11H2,1-3H3
InChIKeySHROPHWDIUBNBS-UHFFFAOYSA-N
XLogP2.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate (CID 69444644) is ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate is CCCN(CCC)c1nc(C(=O)OCC)nc2c1CCC2.
What is the InChIKey of ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
The InChIKey is SHROPHWDIUBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-10-19(11-5-2)15-12-8-7-9-13(12)17-14(18-15)16(20)21-6-3/h4-11H2,1-3H3.
What are the key properties of ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate?
ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dipropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2-carboxylate is sourced from PubChem (CID 69444644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).