[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea

C10H16N6S — CID 5139503

IUPAC[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1cnc(N(C)C)nc1C
InChIInChI=1S/C10H16N6S/c1-6-8(7(2)14-15-9(11)17)5-12-10(13-6)16(3)4/h5H,1-4H3,(H3,11,15,17)
InChIKeyRDNOGNAXAUMZTC-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.41
Rot. Bonds3

About [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea

[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea (PubChem CID 5139503) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea.

Molecular Properties

Compound Name[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea
PubChem CID5139503
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea
SMILESCC(=NNC(N)=S)c1cnc(N(C)C)nc1C
InChIInChI=1S/C10H16N6S/c1-6-8(7(2)14-15-9(11)17)5-12-10(13-6)16(3)4/h5H,1-4H3,(H3,11,15,17)
InChIKeyRDNOGNAXAUMZTC-UHFFFAOYSA-N
XLogP0.41
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea?
The IUPAC name of [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea (CID 5139503) is [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea.
What is the SMILES notation for [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea?
The canonical SMILES for [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea is CC(=NNC(N)=S)c1cnc(N(C)C)nc1C.
What is the InChIKey of [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea?
The InChIKey is RDNOGNAXAUMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-6-8(7(2)14-15-9(11)17)5-12-10(13-6)16(3)4/h5H,1-4H3,(H3,11,15,17).
What are the key properties of [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea?
[1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea has a molecular weight of 252.35 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)-4-methylpyrimidin-5-yl]ethylideneamino]thiourea is sourced from PubChem (CID 5139503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).