6-(propan-2-ylamino)-1H-pyrimidine-4-thione

C7H11N3S — CID 82457078

IUPAC6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc[nH]1
InChIInChI=1S/C7H11N3S/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyNXTQXUBQYJXPQC-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.96
Rot. Bonds2

About 6-(propan-2-ylamino)-1H-pyrimidine-4-thione

6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457078) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457078
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)Nc1cc(=S)nc[nH]1
InChIInChI=1S/C7H11N3S/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyNXTQXUBQYJXPQC-UHFFFAOYSA-N
XLogP1.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
4-Pyrimidinethiol, 6-(methylamino)-
CID 23423875
6-(Dimethylamino)-4(3H)-pyrimidinethione
CID 119088143
2-Amino-6-(methylamino)pyrimidine-4(1H)-thione
CID 5195005
5-Amino-4-isopropylamino-6-mercaptopyrimidine
CID 13481192
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
N-ethyl-1,4-dihydropyrimidin-6-amine
CID 118973305
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-methyl-2-(methylamino)-1H-pyrimidine-4-thione
CID 17606465
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457079
6-(tert-butylamino)-1H-pyrimidine-4-thione
CID 82457085

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457078) is 6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)Nc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is NXTQXUBQYJXPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11).
What are the key properties of 6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 169.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).