2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione

C11H17N3OS — CID 82457540

IUPAC2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione
SMILESCC(C)(CO)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-11(2,6-15)14-8-5-9(16)13-10(12-8)7-3-4-7/h5,7,15H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyGPCQJTHTWFDHPJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione

2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457540) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457540
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione
SMILESCC(C)(CO)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-11(2,6-15)14-8-5-9(16)13-10(12-8)7-3-4-7/h5,7,15H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyGPCQJTHTWFDHPJ-UHFFFAOYSA-N
XLogP2.20
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-(3-propan-2-yloxypropylamino)-1H-pyrimidine-4-thione
CID 82457502
2-cyclopropyl-6-(pyridin-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457492
6-(benzylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
CID 82457581
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475814
2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136803028
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-(4-ethylcyclohexyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481277
2-(methoxymethyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457446
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione (CID 82457540) is 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione is CC(C)(CO)Nc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is GPCQJTHTWFDHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2,6-15)14-8-5-9(16)13-10(12-8)7-3-4-7/h5,7,15H,3-4,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione?
2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).