2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

C17H20N2OS — CID 106477946

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2COc3ccccc3C2)nc(=S)c1C(C)C
InChIInChI=1S/C17H20N2OS/c1-10(2)15-11(3)18-16(19-17(15)21)13-8-12-6-4-5-7-14(12)20-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,19,21)
InChIKeyDTZJAUULMDVJMQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.29
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477946) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477946
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2COc3ccccc3C2)nc(=S)c1C(C)C
InChIInChI=1S/C17H20N2OS/c1-10(2)15-11(3)18-16(19-17(15)21)13-8-12-6-4-5-7-14(12)20-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,19,21)
InChIKeyDTZJAUULMDVJMQ-UHFFFAOYSA-N
XLogP4.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-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

2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65405457
2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 55213366
6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478025
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
(1R)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904201

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477946) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(C2COc3ccccc3C2)nc(=S)c1C(C)C.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is DTZJAUULMDVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-10(2)15-11(3)18-16(19-17(15)21)13-8-12-6-4-5-7-14(12)20-9-13/h4-7,10,13H,8-9H2,1-3H3,(H,18,19,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 300.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).