2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

C7H9ClN4O — CID 165438335

IUPAC2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCc1c[nH]c2nc(N)[nH]c(=O)c12.Cl
InChIInChI=1S/C7H8N4O.ClH/c1-3-2-9-5-4(3)6(12)11-7(8)10-5;/h2H,1H3,(H4,8,9,10,11,12);1H
InChIKeyRHNRPKYHNLUSPX-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.56
Rot. Bonds

About 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride

2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 165438335) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID165438335
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCc1c[nH]c2nc(N)[nH]c(=O)c12.Cl
InChIInChI=1S/C7H8N4O.ClH/c1-3-2-9-5-4(3)6(12)11-7(8)10-5;/h2H,1H3,(H4,8,9,10,11,12);1H
InChIKeyRHNRPKYHNLUSPX-UHFFFAOYSA-N
XLogP0.56
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride (CID 165438335) is 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is Cc1c[nH]c2nc(N)[nH]c(=O)c12.Cl.
What is the InChIKey of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is RHNRPKYHNLUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.ClH/c1-3-2-9-5-4(3)6(12)11-7(8)10-5;/h2H,1H3,(H4,8,9,10,11,12);1H.
What are the key properties of 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride?
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 0.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 165438335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).