2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide

C12H19N5S — CID 107547375

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCN(C)C2CC2)n1
InChIInChI=1S/C12H19N5S/c1-8-7-10(11(13)18)16-12(15-8)14-5-6-17(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyZNAZXUXDRRLPBH-UHFFFAOYSA-N
MW265.39 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide (PubChem CID 107547375) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
PubChem CID107547375
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCN(C)C2CC2)n1
InChIInChI=1S/C12H19N5S/c1-8-7-10(11(13)18)16-12(15-8)14-5-6-17(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyZNAZXUXDRRLPBH-UHFFFAOYSA-N
XLogP0.93
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 50.93
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

6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
2-(cyclopropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546159
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbothioamide
CID 107547891
6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 107547305
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115975050
N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 62980104

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide (CID 107547375) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NCCN(C)C2CC2)n1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide?
The InChIKey is ZNAZXUXDRRLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8-7-10(11(13)18)16-12(15-8)14-5-6-17(2)9-3-4-9/h7,9H,3-6H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide has a molecular weight of 265.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107547375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).