5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine

C23H22N8O2 — CID 53322731

IUPAC6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESC1COCCN1C2=NC(=CC(=N2)NC3=CN=C(C=C3)OC4=CC=CC=C4)C5=CN=C(N=C5)N
InChIInChI=1S/C23H22N8O2/c24-22-26-13-16(14-27-22)19-12-20(30-23(29-19)31-8-10-32-11-9-31)28-17-6-7-21(25-15-17)33-18-4-2-1-3-5-18/h1-7,12-15H,8-11H2,(H2,24,26,27)(H,28,29,30)
InChIKeyJCCMMGYLXXXXQO-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.50
Rot. Bonds6

About 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine

5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 53322731) has the molecular formula C23H22N8O2 and a molecular weight of 442.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
PubChem CID53322731
Molecular FormulaC23H22N8O2
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESC1COCCN1C2=NC(=CC(=N2)NC3=CN=C(C=C3)OC4=CC=CC=C4)C5=CN=C(N=C5)N
InChIInChI=1S/C23H22N8O2/c24-22-26-13-16(14-27-22)19-12-20(30-23(29-19)31-8-10-32-11-9-31)28-17-6-7-21(25-15-17)33-18-4-2-1-3-5-18/h1-7,12-15H,8-11H2,(H2,24,26,27)(H,28,29,30)
InChIKeyJCCMMGYLXXXXQO-UHFFFAOYSA-N
XLogP2.50
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity581

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(2-((6-Methoxypyridin-3-yl)amino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49784894
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092

Frequently Asked Questions

What is the IUPAC name of 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine (CID 53322731) is 6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine is C1COCCN1C2=NC(=CC(=N2)NC3=CN=C(C=C3)OC4=CC=CC=C4)C5=CN=C(N=C5)N.
What is the InChIKey of 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is JCCMMGYLXXXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c24-22-26-13-16(14-27-22)19-12-20(30-23(29-19)31-8-10-32-11-9-31)28-17-6-7-21(25-15-17)33-18-4-2-1-3-5-18/h1-7,12-15H,8-11H2,(H2,24,26,27)(H,28,29,30).
What are the key properties of 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine?
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 442.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 53322731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).