4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol

C7H15N3S — CID 155404978

IUPAC4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC(C)(N)N(C)C1S
InChIInChI=1S/C7H15N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-6,11H,8H2,1-3H3
InChIKeyLHXJRZIZGNWKOM-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.27
Rot. Bonds

About 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol

4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol (PubChem CID 155404978) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol.

Molecular Properties

Compound Name4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol
PubChem CID155404978
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol
SMILESCN1C=CC(C)(N)N(C)C1S
InChIInChI=1S/C7H15N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-6,11H,8H2,1-3H3
InChIKeyLHXJRZIZGNWKOM-UHFFFAOYSA-N
XLogP0.27
TPSA32.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol?
The IUPAC name of 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol (CID 155404978) is 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol.
What is the SMILES notation for 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol?
The canonical SMILES for 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol is CN1C=CC(C)(N)N(C)C1S.
What is the InChIKey of 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol?
The InChIKey is LHXJRZIZGNWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-6,11H,8H2,1-3H3.
What are the key properties of 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol?
4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol has a molecular weight of 173.28 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol is sourced from PubChem (CID 155404978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).