2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione

C7H8N4O2 — CID 136818761

IUPAC2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCC1C(=O)Nc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-2-3-4(9-5(2)12)10-7(8)11-6(3)13/h2H,1H3,(H4,8,9,10,11,12,13)
InChIKeyRTINZMCVOFIKMT-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.59
Rot. Bonds

About 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione

2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione (PubChem CID 136818761) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
PubChem CID136818761
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
SMILESCC1C(=O)Nc2nc(N)[nH]c(=O)c21
InChIInChI=1S/C7H8N4O2/c1-2-3-4(9-5(2)12)10-7(8)11-6(3)13/h2H,1H3,(H4,8,9,10,11,12,13)
InChIKeyRTINZMCVOFIKMT-UHFFFAOYSA-N
XLogP-0.59
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136785640
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
(5R,6S)-2-amino-5-(4-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135831200
4-amino-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 84651793
(5R)-2-amino-5-(4-chlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622784
2-amino-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135491874
12-amino-8-(4-methylphenyl)-5-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),12-triene-6,10-dione
CID 139222666
2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
CID 135403820
2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135511601
(2R)-6-amino-2-(4-methylphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaene-4,17-dione
CID 136875087
2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222916

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione?
The IUPAC name of 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione (CID 136818761) is 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione is CC1C(=O)Nc2nc(N)[nH]c(=O)c21.
What is the InChIKey of 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione?
The InChIKey is RTINZMCVOFIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-2-3-4(9-5(2)12)10-7(8)11-6(3)13/h2H,1H3,(H4,8,9,10,11,12,13).
What are the key properties of 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione?
2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione has a molecular weight of 180.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione is sourced from PubChem (CID 136818761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).