methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate

C10H13N3O2 — CID 62832047

IUPACmethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
SMILESCOC(=O)CNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3O2/c1-15-9(14)5-11-10-7-3-2-4-8(7)12-6-13-10/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyKPKYMJODIPZJFR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate

methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate (PubChem CID 62832047) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
PubChem CID62832047
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
SMILESCOC(=O)CNc1ncnc2c1CCC2
InChIInChI=1S/C10H13N3O2/c1-15-9(14)5-11-10-7-3-2-4-8(7)12-6-13-10/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyKPKYMJODIPZJFR-UHFFFAOYSA-N
XLogP0.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate?
The IUPAC name of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate (CID 62832047) is methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate.
What is the SMILES notation for methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate?
The canonical SMILES for methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate is COC(=O)CNc1ncnc2c1CCC2.
What is the InChIKey of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate?
The InChIKey is KPKYMJODIPZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-9(14)5-11-10-7-3-2-4-8(7)12-6-13-10/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate?
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate has a molecular weight of 207.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate is sourced from PubChem (CID 62832047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).