4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine

C17H23N5O — CID 110116477

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
SMILESCc1cc(CCC2CN(c3nc(C)cc(C)n3)CCO2)ncn1
InChIInChI=1S/C17H23N5O/c1-12-9-15(19-11-18-12)4-5-16-10-22(6-7-23-16)17-20-13(2)8-14(3)21-17/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyNBTMZLVBWZZPDB-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.03
Rot. Bonds4

About 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine

4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine (PubChem CID 110116477) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
PubChem CID110116477
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
SMILESCc1cc(CCC2CN(c3nc(C)cc(C)n3)CCO2)ncn1
InChIInChI=1S/C17H23N5O/c1-12-9-15(19-11-18-12)4-5-16-10-22(6-7-23-16)17-20-13(2)8-14(3)21-17/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyNBTMZLVBWZZPDB-UHFFFAOYSA-N
XLogP2.03
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125025991
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116467
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
4-[2-[(2R)-4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145761
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine (CID 110116477) is 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine is Cc1cc(CCC2CN(c3nc(C)cc(C)n3)CCO2)ncn1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
The InChIKey is NBTMZLVBWZZPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-9-15(19-11-18-12)4-5-16-10-22(6-7-23-16)17-20-13(2)8-14(3)21-17/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine?
4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine has a molecular weight of 313.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine is sourced from PubChem (CID 110116477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).