N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride

C20H24ClN5O — CID 162307050

IUPACN-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride
SMILESCc1cc(Nc2cc3cc(OC4CCNCC4)ccc3cn2)nc(C)n1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-13-9-20(24-14(2)23-13)25-19-11-16-10-18(4-3-15(16)12-22-19)26-17-5-7-21-8-6-17;/h3-4,9-12,17,21H,5-8H2,1-2H3,(H,22,23,24,25);1H
InChIKeyFMRHLJUYDKLOBP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.94
Rot. Bonds4

About N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride

N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride (PubChem CID 162307050) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride
PubChem CID162307050
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride
SMILESCc1cc(Nc2cc3cc(OC4CCNCC4)ccc3cn2)nc(C)n1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-13-9-20(24-14(2)23-13)25-19-11-16-10-18(4-3-15(16)12-22-19)26-17-5-7-21-8-6-17;/h3-4,9-12,17,21H,5-8H2,1-2H3,(H,22,23,24,25);1H
InChIKeyFMRHLJUYDKLOBP-UHFFFAOYSA-N
XLogP3.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride?
The IUPAC name of N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride (CID 162307050) is N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride?
The canonical SMILES for N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride is Cc1cc(Nc2cc3cc(OC4CCNCC4)ccc3cn2)nc(C)n1.Cl.
What is the InChIKey of N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride?
The InChIKey is FMRHLJUYDKLOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-13-9-20(24-14(2)23-13)25-19-11-16-10-18(4-3-15(16)12-22-19)26-17-5-7-21-8-6-17;/h3-4,9-12,17,21H,5-8H2,1-2H3,(H,22,23,24,25);1H.
What are the key properties of N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride?
N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpyrimidin-4-yl)-6-piperidin-4-yloxyisoquinolin-3-amine;hydrochloride is sourced from PubChem (CID 162307050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).