5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine

C24H26N6O2 — CID 123662744

IUPAC5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine
SMILESCC(Oc1cc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1
InChIInChI=1S/C24H26N6O2/c1-14(19-4-2-3-7-26-19)32-21-8-16(11-27-23(21)25)20-10-22(29-24(28-20)15-5-6-15)30-12-18-9-17(30)13-31-18/h2-4,7-8,10-11,14-15,17-18H,5-6,9,12-13H2,1H3,(H2,25,27)
InChIKeyRNOGQGIHAFAUBK-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.51
Rot. Bonds6

About 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine

5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine (PubChem CID 123662744) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine
PubChem CID123662744
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine
SMILESCC(Oc1cc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1
InChIInChI=1S/C24H26N6O2/c1-14(19-4-2-3-7-26-19)32-21-8-16(11-27-23(21)25)20-10-22(29-24(28-20)15-5-6-15)30-12-18-9-17(30)13-31-18/h2-4,7-8,10-11,14-15,17-18H,5-6,9,12-13H2,1H3,(H2,25,27)
InChIKeyRNOGQGIHAFAUBK-UHFFFAOYSA-N
XLogP3.51
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine with MolForge

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Related Compounds

Gdc-0134
CID 86298636
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
(5S)-tert-butyl 5-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54583648
(5R)-tert-butyl 5-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54586548

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine (CID 123662744) is 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine is CC(Oc1cc(-c2cc(N3CC4CC3CO4)nc(C3CC3)n2)cnc1N)c1ccccn1.
What is the InChIKey of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine?
The InChIKey is RNOGQGIHAFAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14(19-4-2-3-7-26-19)32-21-8-16(11-27-23(21)25)20-10-22(29-24(28-20)15-5-6-15)30-12-18-9-17(30)13-31-18/h2-4,7-8,10-11,14-15,17-18H,5-6,9,12-13H2,1H3,(H2,25,27).
What are the key properties of 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine?
5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine has a molecular weight of 430.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(1-pyridin-2-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 123662744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).