tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C19H30N4O4 — CID 143514654

IUPACtert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O4/c1-14-12-16(21-17(20-14)22-8-10-25-11-9-22)26-15-6-5-7-23(13-15)18(24)27-19(2,3)4/h12,15H,5-11,13H2,1-4H3
InChIKeySGJHSIUEEGAAEP-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 143514654) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID143514654
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Nametert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H30N4O4/c1-14-12-16(21-17(20-14)22-8-10-25-11-9-22)26-15-6-5-7-23(13-15)18(24)27-19(2,3)4/h12,15H,5-11,13H2,1-4H3
InChIKeySGJHSIUEEGAAEP-UHFFFAOYSA-N
XLogP2.40
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (3S)-3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 59507999
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 4-(6-methyl-2-morpholin-4-ylpyrimidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752738
tert-butyl (3S)-3-[(6-bromo-4-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 155757653
oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 122161137
tert-butyl 3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 146284888
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 122478866
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 143514654) is tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1cc(OC2CCCN(C(=O)OC(C)(C)C)C2)nc(N2CCOCC2)n1.
What is the InChIKey of tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is SGJHSIUEEGAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-14-12-16(21-17(20-14)22-8-10-25-11-9-22)26-15-6-5-7-23(13-15)18(24)27-19(2,3)4/h12,15H,5-11,13H2,1-4H3.
What are the key properties of tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 143514654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).