2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one

C9H8ClN3O — CID 175623877

IUPAC2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
SMILESCc1nc(Cl)nc2c1C1(CC1)C(=O)N2
InChIInChI=1S/C9H8ClN3O/c1-4-5-6(13-8(10)11-4)12-7(14)9(5)2-3-9/h2-3H2,1H3,(H,11,12,13,14)
InChIKeyKEHMGCLXNWSNIJ-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.42
Rot. Bonds

About 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one

2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one (PubChem CID 175623877) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one.

Molecular Properties

Compound Name2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
PubChem CID175623877
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
SMILESCc1nc(Cl)nc2c1C1(CC1)C(=O)N2
InChIInChI=1S/C9H8ClN3O/c1-4-5-6(13-8(10)11-4)12-7(14)9(5)2-3-9/h2-3H2,1H3,(H,11,12,13,14)
InChIKeyKEHMGCLXNWSNIJ-UHFFFAOYSA-N
XLogP1.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one?
The IUPAC name of 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one (CID 175623877) is 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one.
What is the SMILES notation for 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one?
The canonical SMILES for 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one is Cc1nc(Cl)nc2c1C1(CC1)C(=O)N2.
What is the InChIKey of 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one?
The InChIKey is KEHMGCLXNWSNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-4-5-6(13-8(10)11-4)12-7(14)9(5)2-3-9/h2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one?
2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one has a molecular weight of 209.64 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one is sourced from PubChem (CID 175623877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).