2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide

C10H17N5S — CID 107547487

IUPAC2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide
SMILESCN(C)CCN(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C10H17N5S/c1-14(2)6-7-15(3)10-12-5-4-8(13-10)9(11)16/h4-5H,6-7H2,1-3H3,(H2,11,16)
InChIKeyDRRHSKNYJRZLJV-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.11
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide

2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide (PubChem CID 107547487) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide
PubChem CID107547487
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide
SMILESCN(C)CCN(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C10H17N5S/c1-14(2)6-7-15(3)10-12-5-4-8(13-10)9(11)16/h4-5H,6-7H2,1-3H3,(H2,11,16)
InChIKeyDRRHSKNYJRZLJV-UHFFFAOYSA-N
XLogP0.11
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107546802
2-[methyl(2-phenylethyl)amino]pyrimidine-4-carbothioamide
CID 107547637
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547407
2-[bis(2-hydroxyethyl)amino]pyrimidine-4-carbothioamide
CID 107546750
2-[methyl(oxan-4-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107547492
2-[(4-carbamothioylpyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 107547064
2-[1-(dimethylamino)propan-2-yl-ethylamino]pyrimidine-4-carbothioamide
CID 107548219
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
2-[(2-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbothioamide
CID 107546787
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide (CID 107547487) is 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide is CN(C)CCN(C)c1nccc(C(N)=S)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide?
The InChIKey is DRRHSKNYJRZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-14(2)6-7-15(3)10-12-5-4-8(13-10)9(11)16/h4-5H,6-7H2,1-3H3,(H2,11,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide?
2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide has a molecular weight of 239.35 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).