N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine

C19H27N5 — CID 95874368

IUPACN,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCN(C)CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1
InChIInChI=1S/C19H27N5/c1-23(2)12-9-17-7-4-6-11-24(17)15-16-13-21-19(22-14-16)18-8-3-5-10-20-18/h3,5,8,10,13-14,17H,4,6-7,9,11-12,15H2,1-2H3/t17-/m1/s1
InChIKeyZWLGBUXEOOKWCQ-QGZVFWFLSA-N
MW325.46 g/mol
LogP2.84
Rot. Bonds6

About N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine

N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 95874368) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID95874368
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
SMILESCN(C)CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1
InChIInChI=1S/C19H27N5/c1-23(2)12-9-17-7-4-6-11-24(17)15-16-13-21-19(22-14-16)18-8-3-5-10-20-18/h3,5,8,10,13-14,17H,4,6-7,9,11-12,15H2,1-2H3/t17-/m1/s1
InChIKeyZWLGBUXEOOKWCQ-QGZVFWFLSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine (CID 95874368) is N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine is CN(C)CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is ZWLGBUXEOOKWCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5/c1-23(2)12-9-17-7-4-6-11-24(17)15-16-13-21-19(22-14-16)18-8-3-5-10-20-18/h3,5,8,10,13-14,17H,4,6-7,9,11-12,15H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine?
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 325.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 95874368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).