4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine

C12H18ClN3O — CID 91211970

IUPAC4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCc1nc(Cl)nc(N2CCOCC2(C)C)c1C
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)14-11(13)15-10(8)16-5-6-17-7-12(16,3)4/h5-7H2,1-4H3
InChIKeyQEKMIERQPRTRAR-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.36
Rot. Bonds1

About 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine

4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine (PubChem CID 91211970) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine
PubChem CID91211970
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine
SMILESCc1nc(Cl)nc(N2CCOCC2(C)C)c1C
InChIInChI=1S/C12H18ClN3O/c1-8-9(2)14-11(13)15-10(8)16-5-6-17-7-12(16,3)4/h5-7H2,1-4H3
InChIKeyQEKMIERQPRTRAR-UHFFFAOYSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80987561
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732381
[6-(3,3-dimethylmorpholin-4-yl)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80994347
4-(3,3-dimethylmorpholin-4-yl)-5-methylpyrimidin-2-amine
CID 80796377
4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
CID 175762310
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863215
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
2-cyclopropyl-6-(3,3-dimethylmorpholin-4-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80986182
5-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361787
4-(3-bromo-5-methyl-2-pyridinyl)-3,3-dimethylmorpholine
CID 105367772
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The IUPAC name of 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine (CID 91211970) is 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The canonical SMILES for 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine is Cc1nc(Cl)nc(N2CCOCC2(C)C)c1C.
What is the InChIKey of 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine?
The InChIKey is QEKMIERQPRTRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-9(2)14-11(13)15-10(8)16-5-6-17-7-12(16,3)4/h5-7H2,1-4H3.
What are the key properties of 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine?
4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5,6-dimethylpyrimidin-4-yl)-3,3-dimethylmorpholine is sourced from PubChem (CID 91211970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).