6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide

C12H14N4OS — CID 107547305

IUPAC6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCc2ccc(C)o2)n1
InChIInChI=1S/C12H14N4OS/c1-7-5-10(11(13)18)16-12(15-7)14-6-9-4-3-8(2)17-9/h3-5H,6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyPLPLYEHIGRIVAY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.93
Rot. Bonds4

About 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide

6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide (PubChem CID 107547305) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
PubChem CID107547305
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCc2ccc(C)o2)n1
InChIInChI=1S/C12H14N4OS/c1-7-5-10(11(13)18)16-12(15-7)14-6-9-4-3-8(2)17-9/h3-5H,6H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyPLPLYEHIGRIVAY-UHFFFAOYSA-N
XLogP1.93
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.93
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

3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
2-[(2-ethylphenyl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547600
6-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-4-carbothioamide
CID 107547389
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbothioamide
CID 107547891
2-(2,2-dicyclopropylethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547653

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide (CID 107547305) is 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NCc2ccc(C)o2)n1.
What is the InChIKey of 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide?
The InChIKey is PLPLYEHIGRIVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-5-10(11(13)18)16-12(15-7)14-6-9-4-3-8(2)17-9/h3-5H,6H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide?
6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide has a molecular weight of 262.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).