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

C20H27N5O3 — CID 57397673

IUPACpropan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ncccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H27N5O3/c1-13(2)27-20(26)25-10-7-16(8-11-25)28-19-14(3)18(22-12-23-19)24-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,22,23,24)
InChIKeyATSNUQSZCLQENO-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.62
Rot. Bonds5

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

propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57397673) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57397673
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Namepropan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1ncccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C20H27N5O3/c1-13(2)27-20(26)25-10-7-16(8-11-25)28-19-14(3)18(22-12-23-19)24-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,22,23,24)
InChIKeyATSNUQSZCLQENO-UHFFFAOYSA-N
XLogP3.62
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-[6-(6-Methanesulfonyl-2-methyl-pyridin-3-ylamino)-5-methyl-pyrimidin-4-yloxy]-piperidine-1-carboxylic Acid Isopropyl Ester
CID 23649212
4-(6-amino-5-((ethoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 12004374
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-(cyclopentyloxy)pyridin-3-yl)piperazine-1-carboxamide
CID 12004396
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 44433462
4-(2-methoxyethoxy)-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822075
N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53232478
2-(6-chloro-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822158
Propan-2-yl 4-[5-(difluoromethyl)-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57392504
Propan-2-yl 4-[5-methyl-6-[(6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57394106
Propan-2-yl 4-[5-cyano-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57394950
Propan-2-yl 4-[5-methyl-6-[(6-methyl-5-methylsulfonyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57401105
Propan-2-yl 4-[5-methyl-6-[(4-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57401106

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57397673) is propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1ncccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.
What is the InChIKey of propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is ATSNUQSZCLQENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(2)27-20(26)25-10-7-16(8-11-25)28-19-14(3)18(22-12-23-19)24-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,22,23,24).
What are the key properties of propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57397673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).