propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C20H26N4O4 — CID 57397674

IUPACpropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3
InChIKeySFJAFRSDVYDKBZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.67
Rot. Bonds5

About propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57397674) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57397674
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Namepropan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3
InChIKeySFJAFRSDVYDKBZ-UHFFFAOYSA-N
XLogP3.67
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 51030054
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-methoxypyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51029782
Tert-butyl 4-{5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl}piperazine-1-carboxylate
CID 51030053
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
Isopropyl 9-anti-({5-Methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}oxy)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 54584353
(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 4-[5-[(3-fluoro-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 60155457
Tert-butyl 4-[5-[(3,5-difluoro-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 60155459

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57397674) is propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.
What is the InChIKey of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is SFJAFRSDVYDKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3.
What are the key properties of propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57397674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).