[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C21H29N5O3 — CID 92595893

IUPAC[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1
InChIInChI=1S/C21H29N5O3/c1-13-14(2)23-19(24-20(13)25-9-11-28-12-10-25)17-5-7-26(8-6-17)21(27)18-15(3)22-16(4)29-18/h17H,5-12H2,1-4H3
InChIKeyMOROSXNIOJSSQY-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.55
Rot. Bonds3

About [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 92595893) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID92595893
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1
InChIInChI=1S/C21H29N5O3/c1-13-14(2)23-19(24-20(13)25-9-11-28-12-10-25)17-5-7-26(8-6-17)21(27)18-15(3)22-16(4)29-18/h17H,5-12H2,1-4H3
InChIKeyMOROSXNIOJSSQY-UHFFFAOYSA-N
XLogP2.55
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799192
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95799193
6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95799244
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92595888
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 110684804
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154923232
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 81484912
4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
CID 46960599
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95843926

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 92595893) is [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1.
What is the InChIKey of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is MOROSXNIOJSSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-13-14(2)23-19(24-20(13)25-9-11-28-12-10-25)17-5-7-26(8-6-17)21(27)18-15(3)22-16(4)29-18/h17H,5-12H2,1-4H3.
What are the key properties of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 92595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).