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

C11H15N3O2 — CID 62831506

IUPACmethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1ncnc2c1CCC2
InChIInChI=1S/C11H15N3O2/c1-7(11(15)16-2)14-10-8-4-3-5-9(8)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNSHWJTLJVZHFAY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds3

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

methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate (PubChem CID 62831506) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
PubChem CID62831506
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1ncnc2c1CCC2
InChIInChI=1S/C11H15N3O2/c1-7(11(15)16-2)14-10-8-4-3-5-9(8)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNSHWJTLJVZHFAY-UHFFFAOYSA-N
XLogP0.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
CID 103850263
N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
CID 115701936
N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide
CID 103111262
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
CID 80897187
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831496
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831336

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The IUPAC name of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate (CID 62831506) is methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate.
What is the SMILES notation for methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The canonical SMILES for methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate is COC(=O)C(C)Nc1ncnc2c1CCC2.
What is the InChIKey of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
The InChIKey is NSHWJTLJVZHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(11(15)16-2)14-10-8-4-3-5-9(8)12-6-13-10/h6-7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate?
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate has a molecular weight of 221.26 g/mol, XLogP of 0.94, 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)propanoate is sourced from PubChem (CID 62831506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).