1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C14H21N3O2 — CID 142683810

IUPAC1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(CC(C)C)c(=O)c2[nH]ccc21
InChIInChI=1S/C14H21N3O2/c1-4-5-8-16-11-6-7-15-12(11)13(18)17(14(16)19)9-10(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyMTMDOTLYFSMDHF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds5

About 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 142683810) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID142683810
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(CC(C)C)c(=O)c2[nH]ccc21
InChIInChI=1S/C14H21N3O2/c1-4-5-8-16-11-6-7-15-12(11)13(18)17(14(16)19)9-10(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyMTMDOTLYFSMDHF-UHFFFAOYSA-N
XLogP1.95
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 69180303
3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione
CID 59980723
3-(1-methyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl)propyl acetate
CID 118863784
5-butyl-1-methyl-2-sulfanylidene-3H-imidazo[4,5-c]quinolin-4-one
CID 3077038
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
8-deuterio-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 90843454
1,3-dibutyl-8-iodo-7H-purine-2,6-dione
CID 11406633
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
1-butyl-3-methoxybenzimidazol-2-one
CID 162373122
8-chloro-1-[3-[1-(2-methylpropyl)pyrazol-4-yl]propyl]-3-pentyl-7H-purine-2,6-dione
CID 59405352
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 142683810) is 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)n(CC(C)C)c(=O)c2[nH]ccc21.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is MTMDOTLYFSMDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-5-8-16-11-6-7-15-12(11)13(18)17(14(16)19)9-10(2)3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 263.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142683810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).