1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

C17H26N4O2S — CID 134384917

IUPAC1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C2(C)CC2)c(=O)c2c(C)c(CNNC)sc21
InChIInChI=1S/C17H26N4O2S/c1-5-6-9-20-15-13(11(2)12(24-15)10-19-18-4)14(22)21(16(20)23)17(3)7-8-17/h18-19H,5-10H2,1-4H3
InChIKeyZJFSOFUAZOCHJZ-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.07
Rot. Bonds7

About 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134384917) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134384917
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C2(C)CC2)c(=O)c2c(C)c(CNNC)sc21
InChIInChI=1S/C17H26N4O2S/c1-5-6-9-20-15-13(11(2)12(24-15)10-19-18-4)14(22)21(16(20)23)17(3)7-8-17/h18-19H,5-10H2,1-4H3
InChIKeyZJFSOFUAZOCHJZ-UHFFFAOYSA-N
XLogP2.07
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-[(1-methylcyclopropyl)methyl]-6-[(2-methylhydrazinyl)methyl]-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134312639
6-[(2-aminoethylamino)methyl]-1-(2-methoxyethyl)-5-methyl-3-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134366533
6-[(2-aminoethylamino)methyl]-3-(1-ethylcyclopropyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134367570
tert-butyl N-[[1-butyl-5-methyl-3-[(1S,2S)-2-methylcyclopropyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methylamino]carbamate
CID 134385443
6-[(2-tert-butylhydrazinyl)methyl]-1-(2-methoxyethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 158835282
3-(3-methoxycyclobutyl)-1-(2-methoxyethyl)-5-methyl-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 134384959
1-[(2,2-difluorocyclopropyl)methyl]-5-methyl-3-(1-methylcyclopropyl)-6-[(5-oxo-4H-1,2,4-triazol-1-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 137277982
tert-butyl N-[carbamoyl-[[1-(2-methoxyethyl)-5-methyl-3-(1-methylcyclobutyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamate
CID 134385356
N-[[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-spiro[3.3]heptan-2-ylthieno[2,3-d]pyrimidin-6-yl]methylamino]formamide
CID 134384541
1-[[1-butyl-5-methyl-3-[(1S,2S)-2-methylcyclopropyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methyl]-1-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]urea
CID 134385030
6-[(2-aminoethylamino)methyl]-1-(3-fluoropropyl)-5-methyl-3-(2-methylcyclopropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134384735
6-[(2-aminoethylamino)methyl]-3-ethyl-1-(2-ethylsulfanylethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 134305481

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 134384917) is 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)n(C2(C)CC2)c(=O)c2c(C)c(CNNC)sc21.
What is the InChIKey of 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZJFSOFUAZOCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-5-6-9-20-15-13(11(2)12(24-15)10-19-18-4)14(22)21(16(20)23)17(3)7-8-17/h18-19H,5-10H2,1-4H3.
What are the key properties of 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-3-(1-methylcyclopropyl)-6-[(2-methylhydrazinyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134384917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).