1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

C9H11N3O2 — CID 3043224

IUPAC1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(ccn2C)n(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-10-5-4-6-7(10)8(13)12(3)9(14)11(6)2/h4-5H,1-3H3
InChIKeyVJEONQKOZGKCAK-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.42
Rot. Bonds

About 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 3043224) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID3043224
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(ccn2C)n(C)c1=O
InChIInChI=1S/C9H11N3O2/c1-10-5-4-6-7(10)8(13)12(3)9(14)11(6)2/h4-5H,1-3H3
InChIKeyVJEONQKOZGKCAK-UHFFFAOYSA-N
XLogP-0.42
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
CID 138105960
1,3-Dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10376784
1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10266501
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 57345605
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 71582959
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 71718946
3-Methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 10034949
1,5-Dihydro-Pyrrolo(3,2-D)Pyrimidine-2,4-Dione
CID 592097
1,3-dimethyl-6-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 753672
3-Propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10241692
5-Methyl-1,3-dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10264078

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 3043224) is 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(ccn2C)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VJEONQKOZGKCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-10-5-4-6-7(10)8(13)12(3)9(14)11(6)2/h4-5H,1-3H3.
What are the key properties of 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3043224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).