2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione

C11H16N4O2S — CID 130369695

IUPAC2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2COC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H16N4O2S/c18-10-5-9(12-8-6-17-7-8)13-11(14-10)15-1-3-16-4-2-15/h5,8H,1-4,6-7H2,(H2,12,13,14,18)
InChIKeyCMKGATAITFMLLH-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.79
Rot. Bonds3

About 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione

2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione (PubChem CID 130369695) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione
PubChem CID130369695
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2COC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H16N4O2S/c18-10-5-9(12-8-6-17-7-8)13-11(14-10)15-1-3-16-4-2-15/h5,8H,1-4,6-7H2,(H2,12,13,14,18)
InChIKeyCMKGATAITFMLLH-UHFFFAOYSA-N
XLogP0.79
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
CID 977254
6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457623
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
5-bromo-2-morpholin-4-yl-6-phenyl-1H-pyrimidine-4-thione
CID 106478887
6-(cyclopentylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457343
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
CID 164995242
4-(ethylaminomethyl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135978215
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine
CID 21226741
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 12620074

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione (CID 130369695) is 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione is S=c1cc(NC2COC2)[nH]c(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is CMKGATAITFMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c18-10-5-9(12-8-6-17-7-8)13-11(14-10)15-1-3-16-4-2-15/h5,8H,1-4,6-7H2,(H2,12,13,14,18).
What are the key properties of 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione?
2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 268.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(oxetan-3-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 130369695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).