2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione

C10H17N3S — CID 106475458

IUPAC2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-7(2)8-5-10(14)12-9(11-8)6-13(3)4/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyUMQNXNWVXJIFHL-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.32
Rot. Bonds3

About 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione

2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475458) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475458
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-7(2)8-5-10(14)12-9(11-8)6-13(3)4/h5,7H,6H2,1-4H3,(H,11,12,14)
InChIKeyUMQNXNWVXJIFHL-UHFFFAOYSA-N
XLogP2.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-(2-Methyl-1,4-dihydropyrimidin-6-yl)propanethioamide
CID 123182298
N-[[4-[(Z)-but-2-en-2-yl]-5-methyl-6-methylidene-1H-pyrimidin-2-yl]methyl]-N-methylbuta-2,3-dien-1-amine
CID 166707278
2,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 167420555
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-Ethyl-6-isopropyl-pyrimidine-4-thiol
CID 94077046
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-tert-butyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475305

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475458) is 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(CN(C)C)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is UMQNXNWVXJIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)8-5-10(14)12-9(11-8)6-13(3)4/h5,7H,6H2,1-4H3,(H,11,12,14).
What are the key properties of 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).