4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide

C13H20N4OS — CID 79681577

IUPAC4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
SMILESCc1cc(N2CCOC(C(N)=S)C2)nc(C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-8(2)13-15-9(3)6-11(16-13)17-4-5-18-10(7-17)12(14)19/h6,8,10H,4-5,7H2,1-3H3,(H2,14,19)
InChIKeyCFVQSDNJZRYLLB-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.40
Rot. Bonds3

About 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide (PubChem CID 79681577) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
PubChem CID79681577
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
SMILESCc1cc(N2CCOC(C(N)=S)C2)nc(C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-8(2)13-15-9(3)6-11(16-13)17-4-5-18-10(7-17)12(14)19/h6,8,10H,4-5,7H2,1-3H3,(H2,14,19)
InChIKeyCFVQSDNJZRYLLB-UHFFFAOYSA-N
XLogP1.40
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
4-[[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322391
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carbothioamide
CID 79680495
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide?
The IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide (CID 79681577) is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide is Cc1cc(N2CCOC(C(N)=S)C2)nc(C(C)C)n1.
What is the InChIKey of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide?
The InChIKey is CFVQSDNJZRYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)13-15-9(3)6-11(16-13)17-4-5-18-10(7-17)12(14)19/h6,8,10H,4-5,7H2,1-3H3,(H2,14,19).
What are the key properties of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide?
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide has a molecular weight of 280.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide is sourced from PubChem (CID 79681577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).