5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione

C9H15N3S — CID 115070125

IUPAC5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1CCCN
InChIInChI=1S/C9H15N3S/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyMVGDKOKJXJAURG-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.65
Rot. Bonds3

About 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione

5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione (PubChem CID 115070125) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
PubChem CID115070125
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1CCCN
InChIInChI=1S/C9H15N3S/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyMVGDKOKJXJAURG-UHFFFAOYSA-N
XLogP1.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione?
The IUPAC name of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione (CID 115070125) is 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione?
The canonical SMILES for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione is Cc1nc(=S)[nH]c(C)c1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione?
The InChIKey is MVGDKOKJXJAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione?
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione has a molecular weight of 197.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 115070125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).