(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea

C7H10N4O2S — CID 22768415

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea
SMILESCn1c(NC(N)=S)cc(=O)n(C)c1=O
InChIInChI=1S/C7H10N4O2S/c1-10-4(9-6(8)14)3-5(12)11(2)7(10)13/h3H,1-2H3,(H3,8,9,14)
InChIKeyDSYHTPWQZDXPQV-UHFFFAOYSA-N
MW214.25 g/mol
LogP-1.26
Rot. Bonds1

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea (PubChem CID 22768415) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea
PubChem CID22768415
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea
SMILESCn1c(NC(N)=S)cc(=O)n(C)c1=O
InChIInChI=1S/C7H10N4O2S/c1-10-4(9-6(8)14)3-5(12)11(2)7(10)13/h3H,1-2H3,(H3,8,9,14)
InChIKeyDSYHTPWQZDXPQV-UHFFFAOYSA-N
XLogP-1.26
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea (CID 22768415) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea is Cn1c(NC(N)=S)cc(=O)n(C)c1=O.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea?
The InChIKey is DSYHTPWQZDXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-10-4(9-6(8)14)3-5(12)11(2)7(10)13/h3H,1-2H3,(H3,8,9,14).
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea has a molecular weight of 214.25 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)thiourea is sourced from PubChem (CID 22768415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).