2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide

C10H17N5S — CID 107547316

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
SMILESCCN(C)CCNc1nccc(C(N)=S)n1
InChIInChI=1S/C10H17N5S/c1-3-15(2)7-6-13-10-12-5-4-8(14-10)9(11)16/h4-5H,3,6-7H2,1-2H3,(H2,11,16)(H,12,13,14)
InChIKeySLOZUECCDDCOLZ-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.47
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide

2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide (PubChem CID 107547316) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
PubChem CID107547316
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
SMILESCCN(C)CCNc1nccc(C(N)=S)n1
InChIInChI=1S/C10H17N5S/c1-3-15(2)7-6-13-10-12-5-4-8(14-10)9(11)16/h4-5H,3,6-7H2,1-2H3,(H2,11,16)(H,12,13,14)
InChIKeySLOZUECCDDCOLZ-UHFFFAOYSA-N
XLogP0.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 115488535
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
CID 114162241
2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546276
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carbothioamide
CID 106339028
2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-4-carbothioamide
CID 114125566
2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546230
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
2-(2,2-dimethylheptylamino)pyrimidine-4-carbothioamide
CID 107547785
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
CID 114112951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide (CID 107547316) is 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide is CCN(C)CCNc1nccc(C(N)=S)n1.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide?
The InChIKey is SLOZUECCDDCOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-3-15(2)7-6-13-10-12-5-4-8(14-10)9(11)16/h4-5H,3,6-7H2,1-2H3,(H2,11,16)(H,12,13,14).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide?
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide has a molecular weight of 239.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).