N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine

C22H26N6O — CID 58432892

IUPACN-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
SMILESc1cc2cc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)ccc2cn1
InChIInChI=1S/C22H26N6O/c1-2-19(15-17-3-7-23-16-18(1)17)25-22-24-8-4-21(26-22)28-9-5-20(6-10-28)27-11-13-29-14-12-27/h1-4,7-8,15-16,20H,5-6,9-14H2,(H,24,25,26)
InChIKeyZAXHPFGSPYOKDN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.07
Rot. Bonds4

About N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine

N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine (PubChem CID 58432892) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
PubChem CID58432892
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
SMILESc1cc2cc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)ccc2cn1
InChIInChI=1S/C22H26N6O/c1-2-19(15-17-3-7-23-16-18(1)17)25-22-24-8-4-21(26-22)28-9-5-20(6-10-28)27-11-13-29-14-12-27/h1-4,7-8,15-16,20H,5-6,9-14H2,(H,24,25,26)
InChIKeyZAXHPFGSPYOKDN-UHFFFAOYSA-N
XLogP3.07
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine
CID 58432907
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-(4-isoquinolin-6-yloxycyclohexyl)morpholine
CID 59268507
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885211
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine?
The IUPAC name of N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine (CID 58432892) is N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine.
What is the SMILES notation for N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine?
The canonical SMILES for N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine is c1cc2cc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)ccc2cn1.
What is the InChIKey of N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine?
The InChIKey is ZAXHPFGSPYOKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-19(15-17-3-7-23-16-18(1)17)25-22-24-8-4-21(26-22)28-9-5-20(6-10-28)27-11-13-29-14-12-27/h1-4,7-8,15-16,20H,5-6,9-14H2,(H,24,25,26).
What are the key properties of N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine?
N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine has a molecular weight of 390.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine is sourced from PubChem (CID 58432892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).