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

C21H28N6O2 — CID 95799192

IUPAC[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cn1
InChIInChI=1S/C21H28N6O2/c1-14-12-23-18(13-22-14)21(28)27-6-4-17(5-7-27)19-24-16(3)15(2)20(25-19)26-8-10-29-11-9-26/h12-13,17H,4-11H2,1-3H3
InChIKeyKCLLEVNEJRLPQB-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.05
Rot. Bonds3

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

[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95799192) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95799192
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cn1
InChIInChI=1S/C21H28N6O2/c1-14-12-23-18(13-22-14)21(28)27-6-4-17(5-7-27)19-24-16(3)15(2)20(25-19)26-8-10-29-11-9-26/h12-13,17H,4-11H2,1-3H3
InChIKeyKCLLEVNEJRLPQB-UHFFFAOYSA-N
XLogP2.05
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95799244
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92595893
[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799249
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95799193
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92595888
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95822714
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95799192) is [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cn1.
What is the InChIKey of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is KCLLEVNEJRLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-12-23-18(13-22-14)21(28)27-6-4-17(5-7-27)19-24-16(3)15(2)20(25-19)26-8-10-29-11-9-26/h12-13,17H,4-11H2,1-3H3.
What are the key properties of [4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 2.05, 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]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95799192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).