4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C18H25N7O — CID 146074332

IUPAC4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nccc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-19-4-3-16(20-14)23-5-7-24(8-6-23)17-13-18(22-15(2)21-17)25-9-11-26-12-10-25/h3-4,13H,5-12H2,1-2H3
InChIKeyRBDFBCFSSJUKHG-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.05
Rot. Bonds3

About 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 146074332) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID146074332
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nccc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-19-4-3-16(20-14)23-5-7-24(8-6-23)17-13-18(22-15(2)21-17)25-9-11-26-12-10-25/h3-4,13H,5-12H2,1-2H3
InChIKeyRBDFBCFSSJUKHG-UHFFFAOYSA-N
XLogP1.05
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
methyl-(4-morpholin-4-ylpyrimidin-2-yl)phosphane
CID 134255137
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
4-[2-methyl-6-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800928
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 146074332) is 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nccc(N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)n1.
What is the InChIKey of 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RBDFBCFSSJUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-14-19-4-3-16(20-14)23-5-7-24(8-6-23)17-13-18(22-15(2)21-17)25-9-11-26-12-10-25/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 355.45 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 146074332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).