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

C11H19N3S — CID 82457355

IUPAC6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NCC(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-5-9-13-10(6-11(15)14-9)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyFJYZUYWVGOLFPC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.16
Rot. Bonds5

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

6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione (PubChem CID 82457355) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione
PubChem CID82457355
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NCC(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-5-9-13-10(6-11(15)14-9)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15)
InChIKeyFJYZUYWVGOLFPC-UHFFFAOYSA-N
XLogP3.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.16
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

N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
CID 134549537
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457112
6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457121
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione (CID 82457355) is 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(NCC(C)C)[nH]1.
What is the InChIKey of 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is FJYZUYWVGOLFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-5-9-13-10(6-11(15)14-9)12-7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione?
6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).