4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine

C12H19N3OS — CID 3074005

IUPAC4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)nc(SC(C)C)n1
InChIInChI=1S/C12H19N3OS/c1-9(2)17-12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyBMTDLTSXPWPKTK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds3

About 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine

4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine (PubChem CID 3074005) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
PubChem CID3074005
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)nc(SC(C)C)n1
InChIInChI=1S/C12H19N3OS/c1-9(2)17-12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyBMTDLTSXPWPKTK-UHFFFAOYSA-N
XLogP2.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
4,4'-(6-Methylpyrimidine-2,4-diyl)dimorpholine
CID 239982
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
4-(4-Methyl-6-piperidin-1-ylpyrimidin-2-yl)morpholine
CID 697254
N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697248
4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 4317583
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
CID 647957
N-butyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 1880359
2-Amino-4-morpholino-6-methylpyrimidine
CID 3642905
4-Pyrimidinamine, 2-((1-methylethyl)thio)-N,N,6-trimethyl-
CID 660772
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine (CID 3074005) is 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine is Cc1cc(N2CCOCC2)nc(SC(C)C)n1.
What is the InChIKey of 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
The InChIKey is BMTDLTSXPWPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)17-12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine?
4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine has a molecular weight of 253.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 3074005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).