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

C19H25N5O3 — CID 57399343

IUPACpropan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2cccnc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H25N5O3/c1-13(2)26-19(25)24-9-6-16(7-10-24)27-18-14(3)17(21-12-22-18)23-15-5-4-8-20-11-15/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,21,22,23)
InChIKeyIXBDPGUFMYIKLN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.31
Rot. Bonds5

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

propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57399343) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57399343
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Namepropan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2cccnc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H25N5O3/c1-13(2)26-19(25)24-9-6-16(7-10-24)27-18-14(3)17(21-12-22-18)23-15-5-4-8-20-11-15/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,21,22,23)
InChIKeyIXBDPGUFMYIKLN-UHFFFAOYSA-N
XLogP3.31
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57399343) is propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Nc2cccnc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is IXBDPGUFMYIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13(2)26-19(25)24-9-6-16(7-10-24)27-18-14(3)17(21-12-22-18)23-15-5-4-8-20-11-15/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[5-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.31, 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-(pyridin-3-ylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57399343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).