6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione

C14H23N3OS — CID 106475314

IUPAC6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-4-5-17-6-7-18-12(9-17)14-15-11(10(2)3)8-13(19)16-14/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19)
InChIKeySSWDLEWFUZZJCT-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.05
Rot. Bonds4

About 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione

6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475314) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475314
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C(C)C)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-4-5-17-6-7-18-12(9-17)14-15-11(10(2)3)8-13(19)16-14/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19)
InChIKeySSWDLEWFUZZJCT-UHFFFAOYSA-N
XLogP3.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475314) is 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)cc(C(C)C)[nH]2)C1.
What is the InChIKey of 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is SSWDLEWFUZZJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-5-17-6-7-18-12(9-17)14-15-11(10(2)3)8-13(19)16-14/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19).
What are the key properties of 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).