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

C14H19N3O3 — CID 79771135

IUPACmethyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncnc3c2CCC3)CCO1
InChIInChI=1S/C14H19N3O3/c1-19-13(18)7-10-8-17(5-6-20-10)14-11-3-2-4-12(11)15-9-16-14/h9-10H,2-8H2,1H3
InChIKeyHWZFLTDEOAAUOL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.73
Rot. Bonds3

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

methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 79771135) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID79771135
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncnc3c2CCC3)CCO1
InChIInChI=1S/C14H19N3O3/c1-19-13(18)7-10-8-17(5-6-20-10)14-11-3-2-4-12(11)15-9-16-14/h9-10H,2-8H2,1H3
InChIKeyHWZFLTDEOAAUOL-UHFFFAOYSA-N
XLogP0.73
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate (CID 79771135) is methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ncnc3c2CCC3)CCO1.
What is the InChIKey of methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is HWZFLTDEOAAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-13(18)7-10-8-17(5-6-20-10)14-11-3-2-4-12(11)15-9-16-14/h9-10H,2-8H2,1H3.
What are the key properties of methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 79771135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).