propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C22H31N5O5 — CID 69175430

IUPACpropan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(CCO)ccc1NCOc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1
InChIInChI=1S/C22H31N5O5/c1-15(2)31-22(29)27-9-6-18(7-10-27)32-21-12-20(23-13-24-21)30-14-25-19-5-4-17(8-11-28)26-16(19)3/h4-5,12-13,15,18,25,28H,6-11,14H2,1-3H3
InChIKeyKGUNWZUUICBIOV-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.55
Rot. Bonds9

About propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 69175430) has the molecular formula C22H31N5O5 and a molecular weight of 445.52 g/mol. Its IUPAC name is propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID69175430
Molecular FormulaC22H31N5O5
Molecular Weight445.52 g/mol
Exact Mass445.23
IUPAC Namepropan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(CCO)ccc1NCOc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1
InChIInChI=1S/C22H31N5O5/c1-15(2)31-22(29)27-9-6-18(7-10-27)32-21-12-20(23-13-24-21)30-14-25-19-5-4-17(8-11-28)26-16(19)3/h4-5,12-13,15,18,25,28H,6-11,14H2,1-3H3
InChIKeyKGUNWZUUICBIOV-UHFFFAOYSA-N
XLogP2.55
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11362488
propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722
propan-2-yl 4-[6-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59566490
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
CID 118917506
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 91492715
propan-2-yl 4-[6-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 162551273
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567438
propan-2-yl 4-[6-[5-(methylsulfamoyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68561417
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 69175430) is propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1nc(CCO)ccc1NCOc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1.
What is the InChIKey of propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KGUNWZUUICBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5/c1-15(2)31-22(29)27-9-6-18(7-10-27)32-21-12-20(23-13-24-21)30-14-25-19-5-4-17(8-11-28)26-16(19)3/h4-5,12-13,15,18,25,28H,6-11,14H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]methoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 69175430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).