ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate

C14H18N4O3 — CID 166387406

IUPACethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate
SMILESCCOC(=O)C1CN(c2ncnc3ccn(C)c23)CCO1
InChIInChI=1S/C14H18N4O3/c1-3-20-14(19)11-8-18(6-7-21-11)13-12-10(15-9-16-13)4-5-17(12)2/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyCVIGKSNHTCLRQE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.74
Rot. Bonds3

About ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate

ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate (PubChem CID 166387406) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate
PubChem CID166387406
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate
SMILESCCOC(=O)C1CN(c2ncnc3ccn(C)c23)CCO1
InChIInChI=1S/C14H18N4O3/c1-3-20-14(19)11-8-18(6-7-21-11)13-12-10(15-9-16-13)4-5-17(12)2/h4-5,9,11H,3,6-8H2,1-2H3
InChIKeyCVIGKSNHTCLRQE-UHFFFAOYSA-N
XLogP0.74
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(6-chloro-7H-purin-8-yl)morpholine-2-carboxylate
CID 118139282
N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 166602309
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
CID 81005732
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800283
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
CID 166601055
4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
CID 115538521
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
methyl 4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine-2-carboxylate
CID 104733435
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carbothioamide
CID 79680495

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate?
The IUPAC name of ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate (CID 166387406) is ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate?
The canonical SMILES for ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate is CCOC(=O)C1CN(c2ncnc3ccn(C)c23)CCO1.
What is the InChIKey of ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate?
The InChIKey is CVIGKSNHTCLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-20-14(19)11-8-18(6-7-21-11)13-12-10(15-9-16-13)4-5-17(12)2/h4-5,9,11H,3,6-8H2,1-2H3.
What are the key properties of ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate?
ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)morpholine-2-carboxylate is sourced from PubChem (CID 166387406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).