6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione

C11H18N4OS — CID 53491190

IUPAC6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione
SMILESCc1cc(NCCN2CCOCC2)nc(=S)[nH]1
InChIInChI=1S/C11H18N4OS/c1-9-8-10(14-11(17)13-9)12-2-3-15-4-6-16-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,17)
InChIKeyUPIMEYSOWYJLIC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.19
Rot. Bonds4

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

6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione (PubChem CID 53491190) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione
PubChem CID53491190
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione
SMILESCc1cc(NCCN2CCOCC2)nc(=S)[nH]1
InChIInChI=1S/C11H18N4OS/c1-9-8-10(14-11(17)13-9)12-2-3-15-4-6-16-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,17)
InChIKeyUPIMEYSOWYJLIC-UHFFFAOYSA-N
XLogP1.19
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione (CID 53491190) is 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione is Cc1cc(NCCN2CCOCC2)nc(=S)[nH]1.
What is the InChIKey of 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione?
The InChIKey is UPIMEYSOWYJLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-9-8-10(14-11(17)13-9)12-2-3-15-4-6-16-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,17).
What are the key properties of 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione?
6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione has a molecular weight of 254.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-morpholin-4-ylethylamino)-1H-pyrimidine-2-thione is sourced from PubChem (CID 53491190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).