4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde

C11H17N3O2S — CID 134924000

IUPAC4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde
SMILESCCCn1c(N)c(C=S)c(=O)n(CCC)c1=O
InChIInChI=1S/C11H17N3O2S/c1-3-5-13-9(12)8(7-17)10(15)14(6-4-2)11(13)16/h7H,3-6,12H2,1-2H3
InChIKeyYFZXGSJUGZPPHO-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.76
Rot. Bonds5

About 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde

4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde (PubChem CID 134924000) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde.

Molecular Properties

Compound Name4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde
PubChem CID134924000
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde
SMILESCCCn1c(N)c(C=S)c(=O)n(CCC)c1=O
InChIInChI=1S/C11H17N3O2S/c1-3-5-13-9(12)8(7-17)10(15)14(6-4-2)11(13)16/h7H,3-6,12H2,1-2H3
InChIKeyYFZXGSJUGZPPHO-UHFFFAOYSA-N
XLogP0.76
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-ethyl-5-methyl-3-propylpyrimidine-2,4-dione
CID 143218476
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
CID 14257879
6-amino-5-formyl-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 83814829
4-amino-1,3-dibutyl-2,6-dioxopyrimidine-5-carbothioamide
CID 11738085
6-amino-1-(3-methoxypropyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121223350
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336
N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-propylpyrimidin-5-yl]cyclopentanecarboxamide
CID 101226892
3-[3-(2-carboxyethyl)-2,4,6-trioxo-5-propyl-1,3,5-triazinan-1-yl]propanoic acid
CID 59141687
(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 18915204
6-amino-3-methyl-1-propyl-5-(prop-2-ynylamino)pyrimidine-2,4-dione
CID 60676346
[4-[2-(5,6-diamino-2,4-dioxo-3-propylpyrimidin-1-yl)ethyl]phenyl] sulfite
CID 18449527
methyl 4-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)carbamoyl]cubane-1-carboxylate
CID 67078075

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde?
The IUPAC name of 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde (CID 134924000) is 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde.
What is the SMILES notation for 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde?
The canonical SMILES for 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde is CCCn1c(N)c(C=S)c(=O)n(CCC)c1=O.
What is the InChIKey of 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde?
The InChIKey is YFZXGSJUGZPPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-13-9(12)8(7-17)10(15)14(6-4-2)11(13)16/h7H,3-6,12H2,1-2H3.
What are the key properties of 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde?
4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde has a molecular weight of 255.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dioxo-1,3-dipropylpyrimidine-5-carbothialdehyde is sourced from PubChem (CID 134924000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).