6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

C23H29N9O2 — CID 53324329

IUPAC6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30)
InChIKeyMOESDIGJHZXWDX-UHFFFAOYSA-N
MW463.55 g/mol
LogP1.96
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 53324329) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID53324329
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30)
InChIKeyMOESDIGJHZXWDX-UHFFFAOYSA-N
XLogP1.96
TPSA127.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

Dsr-6434
CID 25071151
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-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
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-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
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71450433
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
4-(6-amino-5-((ethoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 12004374
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-(cyclopentyloxy)pyridin-3-yl)piperazine-1-carboxamide
CID 12004396

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 53324329) is 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is CN1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cn2)CC1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MOESDIGJHZXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 463.55 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 53324329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).