(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate

C8H7ClN4O2 — CID 143605611

IUPAC(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
SMILESCn1ccc2c(OC(N)=O)nc(Cl)nc21
InChIInChI=1S/C8H7ClN4O2/c1-13-3-2-4-5(13)11-7(9)12-6(4)15-8(10)14/h2-3H,1H3,(H2,10,14)
InChIKeyWWMKRRSVQSPRGG-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.08
Rot. Bonds1

About (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate

(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate (PubChem CID 143605611) has the molecular formula C8H7ClN4O2 and a molecular weight of 226.62 g/mol. Its IUPAC name is (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate.

Molecular Properties

Compound Name(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
PubChem CID143605611
Molecular FormulaC8H7ClN4O2
Molecular Weight226.62 g/mol
Exact Mass226.03
IUPAC Name(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
SMILESCn1ccc2c(OC(N)=O)nc(Cl)nc21
InChIInChI=1S/C8H7ClN4O2/c1-13-3-2-4-5(13)11-7(9)12-6(4)15-8(10)14/h2-3H,1H3,(H2,10,14)
InChIKeyWWMKRRSVQSPRGG-UHFFFAOYSA-N
XLogP1.08
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate?
The IUPAC name of (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate (CID 143605611) is (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate.
What is the SMILES notation for (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate?
The canonical SMILES for (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate is Cn1ccc2c(OC(N)=O)nc(Cl)nc21.
What is the InChIKey of (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate?
The InChIKey is WWMKRRSVQSPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2/c1-13-3-2-4-5(13)11-7(9)12-6(4)15-8(10)14/h2-3H,1H3,(H2,10,14).
What are the key properties of (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate?
(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate has a molecular weight of 226.62 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate is sourced from PubChem (CID 143605611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).