6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione

C7H13N3S — CID 122534210

IUPAC6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione
SMILESCC(C)N1C=CC(N)NC1=S
InChIInChI=1S/C7H13N3S/c1-5(2)10-4-3-6(8)9-7(10)11/h3-6H,8H2,1-2H3,(H,9,11)
InChIKeyVZJCMSRVZVBHBC-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.38
Rot. Bonds1

About 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione

6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione (PubChem CID 122534210) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione
PubChem CID122534210
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione
SMILESCC(C)N1C=CC(N)NC1=S
InChIInChI=1S/C7H13N3S/c1-5(2)10-4-3-6(8)9-7(10)11/h3-6H,8H2,1-2H3,(H,9,11)
InChIKeyVZJCMSRVZVBHBC-UHFFFAOYSA-N
XLogP0.38
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione?
The IUPAC name of 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione (CID 122534210) is 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione.
What is the SMILES notation for 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione?
The canonical SMILES for 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione is CC(C)N1C=CC(N)NC1=S.
What is the InChIKey of 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione?
The InChIKey is VZJCMSRVZVBHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)10-4-3-6(8)9-7(10)11/h3-6H,8H2,1-2H3,(H,9,11).
What are the key properties of 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione?
6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione has a molecular weight of 171.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propan-2-yl-1,6-dihydropyrimidine-2-thione is sourced from PubChem (CID 122534210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).