1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea

C10H16N4OS — CID 100775447

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(C)nc(NC(=S)NC(C)C)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)11-10(16)14-9-12-7(3)5-8(13-9)15-4/h5-6H,1-4H3,(H2,11,12,13,14,16)
InChIKeyZBQXDTJDWZZSBL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.49
Rot. Bonds3

About 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea

1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea (PubChem CID 100775447) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
PubChem CID100775447
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(C)nc(NC(=S)NC(C)C)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)11-10(16)14-9-12-7(3)5-8(13-9)15-4/h5-6H,1-4H3,(H2,11,12,13,14,16)
InChIKeyZBQXDTJDWZZSBL-UHFFFAOYSA-N
XLogP1.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775059
methyl N-(4-methoxy-6-methylpyrimidin-2-yl)carbamodithioate
CID 117062845
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-2-yl]-3-propan-2-ylthiourea
CID 100775474
1-(4-methyl-6-phenoxypyrimidin-2-yl)-3-(1-phenylethyl)thiourea
CID 133197449
1-(4-methyl-6-phenoxypyrimidin-2-yl)-3-[(1R)-1-phenylethyl]thiourea
CID 100785225
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea (CID 100775447) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea is COc1cc(C)nc(NC(=S)NC(C)C)n1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea?
The InChIKey is ZBQXDTJDWZZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)11-10(16)14-9-12-7(3)5-8(13-9)15-4/h5-6H,1-4H3,(H2,11,12,13,14,16).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea?
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea has a molecular weight of 240.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 100775447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).