6-(2-methylpropylamino)-1H-pyrimidine-4-thione

C8H13N3S — CID 82457112

IUPAC6-(2-methylpropylamino)-1H-pyrimidine-4-thione
SMILESCC(C)CNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H13N3S/c1-6(2)4-9-7-3-8(12)11-5-10-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyZXFCBEUHSYNCMI-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.21
Rot. Bonds3

About 6-(2-methylpropylamino)-1H-pyrimidine-4-thione

6-(2-methylpropylamino)-1H-pyrimidine-4-thione (PubChem CID 82457112) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropylamino)-1H-pyrimidine-4-thione
PubChem CID82457112
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-(2-methylpropylamino)-1H-pyrimidine-4-thione
SMILESCC(C)CNc1cc(=S)nc[nH]1
InChIInChI=1S/C8H13N3S/c1-6(2)4-9-7-3-8(12)11-5-10-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyZXFCBEUHSYNCMI-UHFFFAOYSA-N
XLogP2.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.21
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
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078
6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457080
6-(tert-butylamino)-1H-pyrimidine-4-thione
CID 82457085
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457095
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457103

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropylamino)-1H-pyrimidine-4-thione (CID 82457112) is 6-(2-methylpropylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropylamino)-1H-pyrimidine-4-thione is CC(C)CNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
The InChIKey is ZXFCBEUHSYNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(2)4-9-7-3-8(12)11-5-10-7/h3,5-6H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 6-(2-methylpropylamino)-1H-pyrimidine-4-thione?
6-(2-methylpropylamino)-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).