(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide

C21H29N5O2 — CID 68982493

IUPAC(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide
SMILESCC(C)C[C@](N)(C(N)=O)c1ccnc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-15(2)14-21(23,19(22)27)18-8-11-24-20(25-18)26-12-9-17(10-13-26)28-16-6-4-3-5-7-16/h3-8,11,15,17H,9-10,12-14,23H2,1-2H3,(H2,22,27)/t21-/m1/s1
InChIKeyMBFPKJJMPMDISS-OAQYLSRUSA-N
MW383.50 g/mol
LogP2.21
Rot. Bonds7

About (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide

(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide (PubChem CID 68982493) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide
PubChem CID68982493
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide
SMILESCC(C)C[C@](N)(C(N)=O)c1ccnc(N2CCC(Oc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-15(2)14-21(23,19(22)27)18-8-11-24-20(25-18)26-12-9-17(10-13-26)28-16-6-4-3-5-7-16/h3-8,11,15,17H,9-10,12-14,23H2,1-2H3,(H2,22,27)/t21-/m1/s1
InChIKeyMBFPKJJMPMDISS-OAQYLSRUSA-N
XLogP2.21
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide (CID 68982493) is (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide is CC(C)C[C@](N)(C(N)=O)c1ccnc(N2CCC(Oc3ccccc3)CC2)n1.
What is the InChIKey of (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide?
The InChIKey is MBFPKJJMPMDISS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)14-21(23,19(22)27)18-8-11-24-20(25-18)26-12-9-17(10-13-26)28-16-6-4-3-5-7-16/h3-8,11,15,17H,9-10,12-14,23H2,1-2H3,(H2,22,27)/t21-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide?
(2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide has a molecular weight of 383.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-2-[2-(4-phenoxypiperidin-1-yl)pyrimidin-4-yl]pentanamide is sourced from PubChem (CID 68982493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).