4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione

C9H17N3S — CID 163924537

IUPAC4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione
SMILESCC(C)N1C=CC(C)(N)N(C)C1=S
InChIInChI=1S/C9H17N3S/c1-7(2)12-6-5-9(3,10)11(4)8(12)13/h5-7H,10H2,1-4H3
InChIKeyRDHNGCIEJTTWHE-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.12
Rot. Bonds1

About 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione

4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione (PubChem CID 163924537) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione
PubChem CID163924537
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione
SMILESCC(C)N1C=CC(C)(N)N(C)C1=S
InChIInChI=1S/C9H17N3S/c1-7(2)12-6-5-9(3,10)11(4)8(12)13/h5-7H,10H2,1-4H3
InChIKeyRDHNGCIEJTTWHE-UHFFFAOYSA-N
XLogP1.12
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrotetramethyl-2(1H)-pyrimidinthion
CID 129649097
4-Methyl-2-thiocytosin
CID 129891054
3,6-Dimethyl-1,6-dihydropyrimidine-2-thione
CID 13351388
1,3,4-trimethyl-4H-pyrimidine-2-thione
CID 21953683
1,3-diethyl-4-methyl-4H-pyrimidine-2-thione
CID 21953714
4-methyl-1,3-dipropyl-4H-pyrimidine-2-thione
CID 21953816
1,3-Diethyl-4-methyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882217
4-Methyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882222
2-Methylidene-1-propan-2-ylpyrimidine-4-thione
CID 89629856
4-Amino-1,3,4-trimethylpyrimidine-2-thione
CID 142616608
4-amino-1,3,4-trimethyl-2H-pyrimidine-2-thiol
CID 155404978
4-Amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione
CID 155707338

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione?
The IUPAC name of 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione (CID 163924537) is 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione?
The canonical SMILES for 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione is CC(C)N1C=CC(C)(N)N(C)C1=S.
What is the InChIKey of 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione?
The InChIKey is RDHNGCIEJTTWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)12-6-5-9(3,10)11(4)8(12)13/h5-7H,10H2,1-4H3.
What are the key properties of 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione?
4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione has a molecular weight of 199.32 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dimethyl-1-propan-2-ylpyrimidine-2-thione is sourced from PubChem (CID 163924537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).