2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione

C10H17N3S — CID 82457172

IUPAC2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
SMILESCCCCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyQMIKLEHJACMOOJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione

2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione (PubChem CID 82457172) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
PubChem CID82457172
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
SMILESCCCCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyQMIKLEHJACMOOJ-UHFFFAOYSA-N
XLogP3.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-tert-butyl-6-(butylamino)-1H-pyrimidine-4-thione
CID 82457388
2-amino-6-(butylamino)-1H-pyrimidine-4-thione
CID 3668605
6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457183
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457291
6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457296
2-tert-butyl-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
CID 82457419
6-(3-imidazol-1-ylpropylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457376
2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione (CID 82457172) is 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione is CCCCCNc1cc(=S)nc(C)[nH]1.
What is the InChIKey of 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione?
The InChIKey is QMIKLEHJACMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione?
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).