4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

C19H27N7O — CID 146074348

IUPAC4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ncnc(C)c3C)CC2)n1
InChIInChI=1S/C19H27N7O/c1-14-12-17(24-8-10-27-11-9-24)23-19(22-14)26-6-4-25(5-7-26)18-15(2)16(3)20-13-21-18/h12-13H,4-11H2,1-3H3
InChIKeyOWJQMBDKUFVRKV-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.36
Rot. Bonds3

About 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine

4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (PubChem CID 146074348) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
PubChem CID146074348
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(N2CCN(c3ncnc(C)c3C)CC2)n1
InChIInChI=1S/C19H27N7O/c1-14-12-17(24-8-10-27-11-9-24)23-19(22-14)26-6-4-25(5-7-26)18-15(2)16(3)20-13-21-18/h12-13H,4-11H2,1-3H3
InChIKeyOWJQMBDKUFVRKV-UHFFFAOYSA-N
XLogP1.36
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800926
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]furo[3,2-c]pyridine
CID 165433903
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
4-[6-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 163345543
4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 146074300
N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine (CID 146074348) is 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(N2CCN(c3ncnc(C)c3C)CC2)n1.
What is the InChIKey of 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is OWJQMBDKUFVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-14-12-17(24-8-10-27-11-9-24)23-19(22-14)26-6-4-25(5-7-26)18-15(2)16(3)20-13-21-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine?
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 369.47 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 146074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).