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

C14H23N3OS — CID 106475291

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-4-5-11-8-13(19)16-14(15-11)12-9-17(10(2)3)6-7-18-12/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19)
InChIKeyBMWMOMOSMPRQGA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.87
Rot. Bonds4

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

2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475291) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475291
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-4-5-11-8-13(19)16-14(15-11)12-9-17(10(2)3)6-7-18-12/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19)
InChIKeyBMWMOMOSMPRQGA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475094
2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475291) is 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is BMWMOMOSMPRQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-5-11-8-13(19)16-14(15-11)12-9-17(10(2)3)6-7-18-12/h8,10,12H,4-7,9H2,1-3H3,(H,15,16,19).
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).