(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea

C8H12N4OS — CID 135553588

IUPAC(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
SMILESCC(C)c1cc(=O)[nH]c(NC(N)=S)n1
InChIInChI=1S/C8H12N4OS/c1-4(2)5-3-6(13)11-8(10-5)12-7(9)14/h3-4H,1-2H3,(H4,9,10,11,12,13,14)
InChIKeyHKGMKRDRQNMONK-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.55
Rot. Bonds2

About (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea

(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea (PubChem CID 135553588) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
PubChem CID135553588
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
SMILESCC(C)c1cc(=O)[nH]c(NC(N)=S)n1
InChIInChI=1S/C8H12N4OS/c1-4(2)5-3-6(13)11-8(10-5)12-7(9)14/h3-4H,1-2H3,(H4,9,10,11,12,13,14)
InChIKeyHKGMKRDRQNMONK-UHFFFAOYSA-N
XLogP0.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide
CID 135973607
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779252
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
6-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)carbamoylamino]hexyl cyanate
CID 137141108
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136787959

Frequently Asked Questions

What is the IUPAC name of (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea?
The IUPAC name of (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea (CID 135553588) is (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea.
What is the SMILES notation for (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea?
The canonical SMILES for (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea is CC(C)c1cc(=O)[nH]c(NC(N)=S)n1.
What is the InChIKey of (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea?
The InChIKey is HKGMKRDRQNMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-4(2)5-3-6(13)11-8(10-5)12-7(9)14/h3-4H,1-2H3,(H4,9,10,11,12,13,14).
What are the key properties of (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea?
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea has a molecular weight of 212.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea is sourced from PubChem (CID 135553588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).