[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone

C15H18N4O2 — CID 136566415

IUPAC[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
SMILESO=C(c1ncnc2[nH]ccc12)N1CCOCC1CC1CC1
InChIInChI=1S/C15H18N4O2/c20-15(13-12-3-4-16-14(12)18-9-17-13)19-5-6-21-8-11(19)7-10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,16,17,18)
InChIKeyOQMLLPJRQZSRGF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds3

About [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone

[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone (PubChem CID 136566415) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
PubChem CID136566415
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
SMILESO=C(c1ncnc2[nH]ccc12)N1CCOCC1CC1CC1
InChIInChI=1S/C15H18N4O2/c20-15(13-12-3-4-16-14(12)18-9-17-13)19-5-6-21-8-11(19)7-10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,16,17,18)
InChIKeyOQMLLPJRQZSRGF-UHFFFAOYSA-N
XLogP1.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone (CID 136566415) is [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone is O=C(c1ncnc2[nH]ccc12)N1CCOCC1CC1CC1.
What is the InChIKey of [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
The InChIKey is OQMLLPJRQZSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(13-12-3-4-16-14(12)18-9-17-13)19-5-6-21-8-11(19)7-10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,16,17,18).
What are the key properties of [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone?
[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone is sourced from PubChem (CID 136566415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).