(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone

C16H19ClN4O2 — CID 178155447

IUPAC(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cnc(Cl)nc2n1C1CCCC1)N1CCOCC1
InChIInChI=1S/C16H19ClN4O2/c17-16-18-10-11-9-13(15(22)20-5-7-23-8-6-20)21(14(11)19-16)12-3-1-2-4-12/h9-10,12H,1-8H2
InChIKeyZQPKJKDFURJTRJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.67
Rot. Bonds2

About (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone

(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone (PubChem CID 178155447) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
PubChem CID178155447
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2cnc(Cl)nc2n1C1CCCC1)N1CCOCC1
InChIInChI=1S/C16H19ClN4O2/c17-16-18-10-11-9-13(15(22)20-5-7-23-8-6-20)21(14(11)19-16)12-3-1-2-4-12/h9-10,12H,1-8H2
InChIKeyZQPKJKDFURJTRJ-UHFFFAOYSA-N
XLogP2.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone (CID 178155447) is (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone is O=C(c1cc2cnc(Cl)nc2n1C1CCCC1)N1CCOCC1.
What is the InChIKey of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
The InChIKey is ZQPKJKDFURJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-16-18-10-11-9-13(15(22)20-5-7-23-8-6-20)21(14(11)19-16)12-3-1-2-4-12/h9-10,12H,1-8H2.
What are the key properties of (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone?
(2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 334.81 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 178155447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).