tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate

C20H27N5O4 — CID 51029782

IUPACtert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCOc1cnccc1COc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C20H27N5O4/c1-20(2,3)29-19(26)25-9-7-24(8-10-25)18-22-11-16(12-23-18)28-14-15-5-6-21-13-17(15)27-4/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyVMXRUYMZWIICAB-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.52
Rot. Bonds5

About tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 51029782) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID51029782
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Nametert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCOc1cnccc1COc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C20H27N5O4/c1-20(2,3)29-19(26)25-9-7-24(8-10-25)18-22-11-16(12-23-18)28-14-15-5-6-21-13-17(15)27-4/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyVMXRUYMZWIICAB-UHFFFAOYSA-N
XLogP2.52
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030054
(1S,5S)-tert-butyl 3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 54585570
Tert-butyl 3-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 73350444
Isopropyl 4-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 16036825
Tert-butyl 4-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]piperazine-1-carboxylate
CID 51029603
Tert-butyl 4-{5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51030053
propan-2-yl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030336
2-cyanopropan-2-yl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030529
Tert-butyl 4-{5-[(3-methylpyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51030811
(R)-2,2,2-trifluoroethyl 4-(5-((3-cyanopyridin-4-yl)methoxy)pyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
CID 51030984
2,2,2-Trifluoroethyl 4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 51030985
(5S)-tert-butyl 5-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54583648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate (CID 51029782) is tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate is COc1cnccc1COc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is VMXRUYMZWIICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-20(2,3)29-19(26)25-9-7-24(8-10-25)18-22-11-16(12-23-18)28-14-15-5-6-21-13-17(15)27-4/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(3-methoxy-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 51029782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).