[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate

C19H25N5O4 — CID 69160848

IUPAC[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
SMILESCc1ncccc1Nc1cc(OC2CCN(OC(=O)OC(C)C)CC2)ncn1
InChIInChI=1S/C19H25N5O4/c1-13(2)26-19(25)28-24-9-6-15(7-10-24)27-18-11-17(21-12-22-18)23-16-5-4-8-20-14(16)3/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,21,22,23)
InChIKeyPNSJCAGKISUGSD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.24
Rot. Bonds6

About [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate

[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate (PubChem CID 69160848) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
PubChem CID69160848
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
SMILESCc1ncccc1Nc1cc(OC2CCN(OC(=O)OC(C)C)CC2)ncn1
InChIInChI=1S/C19H25N5O4/c1-13(2)26-19(25)28-24-9-6-15(7-10-24)27-18-11-17(21-12-22-18)23-16-5-4-8-20-14(16)3/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,21,22,23)
InChIKeyPNSJCAGKISUGSD-UHFFFAOYSA-N
XLogP3.24
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69159661
tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
CID 69162077
[4-[6-(4-bromo-2,5-difluoroanilino)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534036
[4-[6-[[6-(2-cyclopropyloxyethylamino)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534224
4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxybenzenesulfonic acid
CID 87487791
[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567438
[4-[6-[2,5-difluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534067
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567432
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
[4-[5-cyano-6-[4-(dimethylamino)-2-fluoroanilino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68533845
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate (CID 69160848) is [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate is Cc1ncccc1Nc1cc(OC2CCN(OC(=O)OC(C)C)CC2)ncn1.
What is the InChIKey of [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The InChIKey is PNSJCAGKISUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13(2)26-19(25)28-24-9-6-15(7-10-24)27-18-11-17(21-12-22-18)23-16-5-4-8-20-14(16)3/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate has a molecular weight of 387.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 69160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).