2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C7H7ClN4O — CID 178059608

IUPAC2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(Cl)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7ClN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13)
InChIKeyIBWCHXFAKQZQDM-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.50
Rot. Bonds

About 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 178059608) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID178059608
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1cc(Cl)c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7ClN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13)
InChIKeyIBWCHXFAKQZQDM-UHFFFAOYSA-N
XLogP0.50
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 178059608) is 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1cc(Cl)c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is IBWCHXFAKQZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c1-12-2-3(8)4-5(12)10-7(9)11-6(4)13/h2H,1H3,(H3,9,10,11,13).
What are the key properties of 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 198.61 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 178059608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).