[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H21N5O2 — CID 155800283

IUPAC[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccc2c(N3CCOC(C(=O)N4CCCC4)C3)ncnc21
InChIInChI=1S/C16H21N5O2/c1-19-7-4-12-14(19)17-11-18-15(12)21-8-9-23-13(10-21)16(22)20-5-2-3-6-20/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyZAFPRXIAURWKDK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.80
Rot. Bonds2

About [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800283) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800283
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccc2c(N3CCOC(C(=O)N4CCCC4)C3)ncnc21
InChIInChI=1S/C16H21N5O2/c1-19-7-4-12-14(19)17-11-18-15(12)21-8-9-23-13(10-21)16(22)20-5-2-3-6-20/h4,7,11,13H,2-3,5-6,8-10H2,1H3
InChIKeyZAFPRXIAURWKDK-UHFFFAOYSA-N
XLogP0.80
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800283) is [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is Cn1ccc2c(N3CCOC(C(=O)N4CCCC4)C3)ncnc21.
What is the InChIKey of [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZAFPRXIAURWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-7-4-12-14(19)17-11-18-15(12)21-8-9-23-13(10-21)16(22)20-5-2-3-6-20/h4,7,11,13H,2-3,5-6,8-10H2,1H3.
What are the key properties of [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.38 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).